Pyrrolines

Organic heterocyclic compounds that consist of a five-membered ring with four carbon atoms, one nitrogen atom, and one double bond.

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3-Pyrroline, tech. 85% (remainder pyrrolidine)

CAS: 109-96-6 Formula molecolare: C4H7N Molecular Weight (g/mol): 69.107 Numero MDL: MFCD00005213 InChI Key: JVQIKJMSUIMUDI-UHFFFAOYSA-N PubChem CID: 66059 ChEBI: CHEBI:20198 IUPAC Name: 2,5-dihydro-1H-pyrrole SMILES: C1C=CCN1

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Numero MDL	MFCD00005213
PubChem CID	66059
Formula molecolare	C4H7N
CAS	109-96-6
Molecular Weight (g/mol)	69.107
ChEBI	CHEBI:20198
SMILES	C1C=CCN1
IUPAC Name	2,5-dihydro-1H-pyrrole
InChI Key	JVQIKJMSUIMUDI-UHFFFAOYSA-N

Numero MDL	MFCD00005213
PubChem CID	66059
Formula molecolare	C4H7N
CAS	109-96-6
Molecular Weight (g/mol)	69.107
ChEBI	CHEBI:20198
SMILES	C1C=CCN1
IUPAC Name	2,5-dihydro-1H-pyrrole
InChI Key	JVQIKJMSUIMUDI-UHFFFAOYSA-N

2-Methyl-1-pyrroline, Thermo Scientific Chemicals

CAS: 872-32-2 Formula molecolare: C5H10N Molecular Weight (g/mol): 84.14 Numero MDL: MFCD00128806 InChI Key: OZLJZWIVBYLSOK-UHFFFAOYSA-N Sinonimo: 2-methyl-1-pyrroline,3,4-dihydro-5-methyl-2h-pyrrole,1pyrroline2methyl,2h-pyrrole, 3,4-dihydro-5-methyl,pubchem9412 PubChem CID: 70103 ChEBI: CHEBI:78856 IUPAC Name: 5-methyl-3,4-dihydro-2H-pyrrole SMILES: C[C+]1CCCN1

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Sinonimo	2-methyl-1-pyrroline,3,4-dihydro-5-methyl-2h-pyrrole,1pyrroline2methyl,2h-pyrrole, 3,4-dihydro-5-methyl,pubchem9412
Numero MDL	MFCD00128806
PubChem CID	70103
Formula molecolare	C5H10N
CAS	872-32-2
Molecular Weight (g/mol)	84.14
ChEBI	CHEBI:78856
SMILES	C[C+]1CCCN1
IUPAC Name	5-methyl-3,4-dihydro-2H-pyrrole
InChI Key	OZLJZWIVBYLSOK-UHFFFAOYSA-N

2-Methyl-1-pyrroline, 98%, Thermo Scientific Chemicals

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Sinonimo	2-methyl-1-pyrroline,3,4-dihydro-5-methyl-2h-pyrrole,1pyrroline2methyl,2h-pyrrole, 3,4-dihydro-5-methyl,pubchem9412
Numero MDL	MFCD00128806
PubChem CID	70103
Formula molecolare	C5H10N
CAS	872-32-2
Molecular Weight (g/mol)	84.14
ChEBI	CHEBI:78856
SMILES	C[C+]1CCCN1
InChI Key	OZLJZWIVBYLSOK-UHFFFAOYSA-N

2-[4-(Methoxycarbonyl)-5-methyl-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]acetic acid, 97%, Thermo Scientific™

CAS: 77978-73-5 Formula molecolare: C9H11NO5 Molecular Weight (g/mol): 213.189 Numero MDL: MFCD00173859 InChI Key: WLKUVVIAHUXPSB-UHFFFAOYSA-N Sinonimo: 2-4-methoxycarbonyl-5-methyl-2-oxo-2,3-dihydro-1h-pyrrol-3-yl acetic acid,4-methoxycarbonyl-5-methyl-2-oxo-1,3-dihydropyrrol-3-yl acetic acid,1h-pyrrole-3-aceticacid, 2,3-dihydro-4-methoxycarbonyl-5-methyl-2-oxo,maybridge1_002247,3-methoxycarbonyl-2-methyl-5-oxo-2-pyrrolin-4-yl acetic acid,2-4-methoxycarbonyl-5-methyl-2-oxo-1,3-dihydropyrrol-3-yl acetic acid,2-4-methoxycarbonyl-5-methyl-2-oxo-2,3-dihydro-1h-pyrrol-3yl acetic acid PubChem CID: 2774998 IUPAC Name: 2-(4-methoxycarbonyl-5-methyl-2-oxo-1,3-dihydropyrrol-3-yl)acetic acid SMILES: CC1=C(C(C(=O)N1)CC(=O)O)C(=O)OC

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Sinonimo	2-4-methoxycarbonyl-5-methyl-2-oxo-2,3-dihydro-1h-pyrrol-3-yl acetic acid,4-methoxycarbonyl-5-methyl-2-oxo-1,3-dihydropyrrol-3-yl acetic acid,1h-pyrrole-3-aceticacid, 2,3-dihydro-4-methoxycarbonyl-5-methyl-2-oxo,maybridge1_002247,3-methoxycarbonyl-2-methyl-5-oxo-2-pyrrolin-4-yl acetic acid,2-4-methoxycarbonyl-5-methyl-2-oxo-1,3-dihydropyrrol-3-yl acetic acid,2-4-methoxycarbonyl-5-methyl-2-oxo-2,3-dihydro-1h-pyrrol-3yl acetic acid
Numero MDL	MFCD00173859
PubChem CID	2774998
Formula molecolare	C9H11NO5
CAS	77978-73-5
Molecular Weight (g/mol)	213.189
SMILES	CC1=C(C(C(=O)N1)CC(=O)O)C(=O)OC
IUPAC Name	2-(4-methoxycarbonyl-5-methyl-2-oxo-1,3-dihydropyrrol-3-yl)acetic acid
InChI Key	WLKUVVIAHUXPSB-UHFFFAOYSA-N

4-Methoxy-3-pyrrolin-2-one, 99%

CAS: 69778-83-2 Formula molecolare: C5H7NO2 Molecular Weight (g/mol): 113.116 Numero MDL: MFCD00071564 InChI Key: TXKQBYYDTLOLHA-UHFFFAOYSA-N Sinonimo: 4-methoxy-3-pyrrolin-2-one,4-methoxy-1h-pyrrol-2 5h-one,4-methoxy-1,5-dihydro-2h-pyrrol-2-one,4-methoxy-1,5-dihydropyrrol-2-one,2h-pyrrol-2-one, 1,5-dihydro-4-methoxy,4-methoxy-2,5-dihydro-1h-pyrrol-2-one,4-methoxy-1,5-dihydropyrro-2-one,1,5-dihydro-4-methoxy-2h-pyrrol-2-on,4-methoxy-3-pyrroline-2-one PubChem CID: 574769 IUPAC Name: 3-methoxy-1,2-dihydropyrrol-5-one SMILES: COC1=CC(=O)NC1

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Sinonimo	4-methoxy-3-pyrrolin-2-one,4-methoxy-1h-pyrrol-2 5h-one,4-methoxy-1,5-dihydro-2h-pyrrol-2-one,4-methoxy-1,5-dihydropyrrol-2-one,2h-pyrrol-2-one, 1,5-dihydro-4-methoxy,4-methoxy-2,5-dihydro-1h-pyrrol-2-one,4-methoxy-1,5-dihydropyrro-2-one,1,5-dihydro-4-methoxy-2h-pyrrol-2-on,4-methoxy-3-pyrroline-2-one
Numero MDL	MFCD00071564
PubChem CID	574769
Formula molecolare	C5H7NO2
CAS	69778-83-2
Molecular Weight (g/mol)	113.116
SMILES	COC1=CC(=O)NC1
IUPAC Name	3-methoxy-1,2-dihydropyrrol-5-one
InChI Key	TXKQBYYDTLOLHA-UHFFFAOYSA-N

3-Ethyl-4-methyl-3-pyrrolin-2-one, 98%

CAS: 766-36-9 Formula molecolare: C7H11NO Molecular Weight (g/mol): 125.17 Numero MDL: MFCD00173861 InChI Key: YCTNTSVMJWIYTQ-UHFFFAOYSA-N Sinonimo: 3-ethyl-4-methyl-3-pyrrolin-2-one,3-ethyl-4-methyl-3-pyrroline-2-one,3-ethyl-4-methyl-2,5-dihydro-1h-pyrrol-2-one,3-ethyl-4-methyl-1h-pyrrol-2 5h-one,1,5-dihydro-3-ethyl-4-methyl-2h-pyrrol-2-one,2h-pyrrol-2-one, 3-ethyl-1,5-dihydro-4-methyl,3-ethyl-4-methyl-2-oxo-3-pyrroline,3-ethyl-4-methyl-1,5-dihydropyrrol-2-one,3-ethyl-1,5-dihydro-4-methyl-2h-pyrrol-2-one,pubchem12392 PubChem CID: 854146 SMILES: CCC1=C(C)CNC1=O

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Sinonimo	3-ethyl-4-methyl-3-pyrrolin-2-one,3-ethyl-4-methyl-3-pyrroline-2-one,3-ethyl-4-methyl-2,5-dihydro-1h-pyrrol-2-one,3-ethyl-4-methyl-1h-pyrrol-2 5h-one,1,5-dihydro-3-ethyl-4-methyl-2h-pyrrol-2-one,2h-pyrrol-2-one, 3-ethyl-1,5-dihydro-4-methyl,3-ethyl-4-methyl-2-oxo-3-pyrroline,3-ethyl-4-methyl-1,5-dihydropyrrol-2-one,3-ethyl-1,5-dihydro-4-methyl-2h-pyrrol-2-one,pubchem12392
Numero MDL	MFCD00173861
PubChem CID	854146
Formula molecolare	C7H11NO
CAS	766-36-9
Molecular Weight (g/mol)	125.17
SMILES	CCC1=C(C)CNC1=O
InChI Key	YCTNTSVMJWIYTQ-UHFFFAOYSA-N

5,5-Dimethyl-1-pyrroline N-Oxide, TRC

CAS: 3317-61-1 Formula molecolare: C6H11NO Molecular Weight (g/mol): 113.16 Sinonimo: 2,2-Dimethyl-3,4-dihydro-2H-pyrrole N-Oxide,5,5-Dimethyl-1-pyrroline 1-Oxide,5,5-Dimethyl-4,5-dihydro-3H-pyrrole N-Oxide,5,5-Dimethyl-Δ1-pyrroline 1-Oxide,5,5-Dimethyl-Δ1-pyrroline N-Oxide,DMPO SMILES: CC1(C)CCC=[N+]1[O-]

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Sinonimo	2,2-Dimethyl-3,4-dihydro-2H-pyrrole N-Oxide,5,5-Dimethyl-1-pyrroline 1-Oxide,5,5-Dimethyl-4,5-dihydro-3H-pyrrole N-Oxide,5,5-Dimethyl-Δ1-pyrroline 1-Oxide,5,5-Dimethyl-Δ1-pyrroline N-Oxide,DMPO
Formula molecolare	C6H11NO
CAS	3317-61-1
Molecular Weight (g/mol)	113.16
SMILES	CC1(C)CCC=[N+]1[O-]

1-Oxyl-2,2,5,5-tetramethylpyrroline-3-carboxylate N-Hydroxysuccinimide Ester, TRC

CAS: 37558-29-5 Formula molecolare: C13 H17 N2 O5 Molecular Weight (g/mol): 281.28 IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 1-λ^{1}-oxidanyl-2,2,5,5-tetramethylpyrrole-3-carboxylate SMILES: CC1(C)C=C(C(=O)ON2C(=O)CCC2=O)C(C)(C)N1[O]

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Formula molecolare	C13 H17 N2 O5
CAS	37558-29-5
Molecular Weight (g/mol)	281.28
SMILES	CC1(C)C=C(C(=O)ON2C(=O)CCC2=O)C(C)(C)N1[O]
IUPAC Name	(2,5-dioxopyrrolidin-1-yl) 1-λ^{1}-oxidanyl-2,2,5,5-tetramethylpyrrole-3-carboxylate

(1-Oxyl-2,2,5,5-tetramethyl-Delta-3-pyrroline-3-methyl) Methanethiosulfonate, TRC

CAS: 81213-52-7 Formula molecolare: C10 H18 N O3 S2 Molecular Weight (g/mol): 264.38 Sinonimo: (1-Oxyl-2,2,5,5-Tetramethyl-3-Pyrroline-3-Methyl) Methanethiosulfonate-D15 IUPAC Name: 1-λ^{1}-oxidanyl-2,2,5,5-tetramethyl-3-(methylsulfonylsulfanylmethyl)pyrrole SMILES: CC1(C)C=C(CSS(=O)(=O)C)C(C)(C)N1[O]

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Sinonimo	(1-Oxyl-2,2,5,5-Tetramethyl-3-Pyrroline-3-Methyl) Methanethiosulfonate-D15
Formula molecolare	C10 H18 N O3 S2
CAS	81213-52-7
Molecular Weight (g/mol)	264.38
SMILES	CC1(C)C=C(CSS(=O)(=O)C)C(C)(C)N1[O]
IUPAC Name	1-λ^{1}-oxidanyl-2,2,5,5-tetramethyl-3-(methylsulfonylsulfanylmethyl)pyrrole

(1-Acetoxy-2,2,5,5-tetramethyl-Delta-3-pyrroline-3-methyl) Methanethiosulfonate, TRC

CAS: 392718-69-3 Formula molecolare: C12H21NO4S2 Molecular Weight (g/mol): 307.43 Sinonimo: (1-Acetoxy-2,2,5,5-Tetramethyl-D-3-Pyrroline-3-Methyl) Methanesulfonate IUPAC Name: [2,2,5,5-tetramethyl-3-(methylsulfonothioyloxymethyl)pyrrol-1-yl] acetate SMILES: CC(=O)ON1C(C)(C)C=C(COS(=O)(=S)C)C1(C)C

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Sinonimo	(1-Acetoxy-2,2,5,5-Tetramethyl-D-3-Pyrroline-3-Methyl) Methanesulfonate
Formula molecolare	C12H21NO4S2
CAS	392718-69-3
Molecular Weight (g/mol)	307.43
SMILES	CC(=O)ON1C(C)(C)C=C(COS(=O)(=S)C)C1(C)C
IUPAC Name	[2,2,5,5-tetramethyl-3-(methylsulfonothioyloxymethyl)pyrrol-1-yl] acetate

1-Acetyl-2,2,5,5-tetramethyl-∆3-pyrroline-3-methyl Methanethiosulfonate, TRC

CAS: 244641-23-4 Formula molecolare: C12 H21 N O3 S2 Molecular Weight (g/mol): 291.43 IUPAC Name: 1-[2,2,5,5-tetramethyl-3-(methylsulfonylsulfanylmethyl)pyrrol-1-yl]ethanone SMILES: CC(=O)N1C(C)(C)C=C(CSS(=O)(=O)C)C1(C)C

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Formula molecolare	C12 H21 N O3 S2
CAS	244641-23-4
Molecular Weight (g/mol)	291.43
SMILES	CC(=O)N1C(C)(C)C=C(CSS(=O)(=O)C)C1(C)C
IUPAC Name	1-[2,2,5,5-tetramethyl-3-(methylsulfonylsulfanylmethyl)pyrrol-1-yl]ethanone

Dechlorane 604 Component A, TRC

CAS: 34571-16-9 Formula molecolare: C13H4Br4Cl6 Molecular Weight (g/mol): 692.5 Sinonimo: 1,2,3,4,7,7-Hexachloro-5-(tetrabromophenyl)bicyclo[2.2.1]hept-2-ene,5-(Tetrabromophenyl)-1,2,3,4,7,7-hexachloro-2-norbornene,Hexachlorocyclopentadiene-tetrabromostyrene Adduct; IUPAC Name: (5R)-1,2,3,4,7,7-hexachloro-5-(2,3,5,6-tetrabromophenyl)bicyclo[2.2.1]hept-2-ene SMILES: ClC12C(Cl)=C(Cl)C(C2(Cl)Cl)(Cl)C[C@@H]1C3=C(Br)C(Br)=CC(Br)=C3Br

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Sinonimo	1,2,3,4,7,7-Hexachloro-5-(tetrabromophenyl)bicyclo[2.2.1]hept-2-ene,5-(Tetrabromophenyl)-1,2,3,4,7,7-hexachloro-2-norbornene,Hexachlorocyclopentadiene-tetrabromostyrene Adduct;
Formula molecolare	C13H4Br4Cl6
CAS	34571-16-9
Molecular Weight (g/mol)	692.5
SMILES	ClC12C(Cl)=C(Cl)C(C2(Cl)Cl)(Cl)C[C@@H]1C3=C(Br)C(Br)=CC(Br)=C3Br
IUPAC Name	(5R)-1,2,3,4,7,7-hexachloro-5-(2,3,5,6-tetrabromophenyl)bicyclo[2.2.1]hept-2-ene

N-(4-METHYL-2-NITROPHENYL)MALEIMIDE, TRC

CAS: 91135-77-2 Formula molecolare: C11H8N2O4 Molecular Weight (g/mol): 232.19 Sinonimo: 1-(4-Methyl-2-nitrophenyl)-1H-pyrrole-2,5-dione;1-(4-Methyl-2-nitro-phenyl)-pyrrole-2,5-dione;1-(4-Methyl-2-nitrophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione;1-(4-Methyl-2-nitrophenyl)pyrrole-2,5-dione; IUPAC Name: 1-(4-methyl-2-nitrophenyl)pyrrole-2,5-dione SMILES: Cc1ccc(N2C(=O)C=CC2=O)c(c1)[N+](=O)[O-]

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Sinonimo	1-(4-Methyl-2-nitrophenyl)-1H-pyrrole-2,5-dione;1-(4-Methyl-2-nitro-phenyl)-pyrrole-2,5-dione;1-(4-Methyl-2-nitrophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione;1-(4-Methyl-2-nitrophenyl)pyrrole-2,5-dione;
Formula molecolare	C11H8N2O4
CAS	91135-77-2
Molecular Weight (g/mol)	232.19
SMILES	Cc1ccc(N2C(=O)C=CC2=O)c(c1)[N+](=O)[O-]
IUPAC Name	1-(4-methyl-2-nitrophenyl)pyrrole-2,5-dione

Spirotetramat-keto-hydroxy (Mixture of Diastereomers), TRC

CAS: 1172134-11-0 Formula molecolare: C18 H23 N O4 Molecular Weight (g/mol): 317.38 Sinonimo: 3-(2,5-Dimethylphenyl)-3-hydroxy-8-methoxy-1-azaspiro[4.5]decane-2,4-dione,Spirotetramat-keto-hydroxy IUPAC Name: 3-(2,5-dimethylphenyl)-3-hydroxy-8-methoxy-1-azaspiro[4.5]decane-2,4-dione SMILES: CO[C@@H]1CC[C@@]2(CC1)NC(=O)C(O)(C2=O)c3cc(C)ccc3C

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Sinonimo	3-(2,5-Dimethylphenyl)-3-hydroxy-8-methoxy-1-azaspiro[4.5]decane-2,4-dione,Spirotetramat-keto-hydroxy
Formula molecolare	C18 H23 N O4
CAS	1172134-11-0
Molecular Weight (g/mol)	317.38
SMILES	CO[C@@H]1CC[C@@]2(CC1)NC(=O)C(O)(C2=O)c3cc(C)ccc3C
IUPAC Name	3-(2,5-dimethylphenyl)-3-hydroxy-8-methoxy-1-azaspiro[4.5]decane-2,4-dione

Pyrrolines

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