1-Methyl-5-oxopyrrolidine-3-carbonitrile - CAS 172261-37-9

Catalog:	BB012804
Product Name:	1-Methyl-5-oxopyrrolidine-3-carbonitrile
CAS:	172261-37-9
Synonyms:	1-methyl-5-oxo-3-pyrrolidinecarbonitrile; 1-methyl-5-oxopyrrolidine-3-carbonitrile

Technical Data

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Computed Properties

IUPAC Name:	1-methyl-5-oxopyrrolidine-3-carbonitrile
Description:	1-Methyl-5-oxopyrrolidine-3-carbonitrile (CAS# 172261-37-9) is used as a reactant in the preparation of fused thiazole derivatives as 5-HT3 receptor agonists or antagonists.
Molecular Weight:	124.14
Molecular Formula:	C6H8N2O
Canonical SMILES:	CN1CC(CC1=O)C#N
InChI:	InChI=1S/C6H8N2O/c1-8-4-5(3-7)2-6(8)9/h5H,2,4H2,1H3
InChI Key:	BJKKPDLNTVOVON-UHFFFAOYSA-N
MDL:	MFCD18819188
LogP:	-0.07382

Publication Number	Title	Priority Date
WO-2011073444-A2	Azoline compounds for combating invertebrate pests	20091218
TW-389765-B	5-HT3 receptor agonists, novel thiazole derivatives and intermediate thereof	19950310
CN-1143364-A	5-HT3 receptor agonist, novel thiazole derivative, and intermediate thereof	19940311
EP-0749966-A1	5-ht 3 receptor agonist, novel thiazole derivative, and intermediate therefor	19940311
US-5834499-A	5-HT3 receptor agonist, novel thiazole derivative and intermediate thereof	19940311

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Related Functional Groups

Nitrogen Compounds

[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[1170836-25-5]
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[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[13021-14-2]
2,4,6-Trimethyl-N-methylaniline
[916792-07-9]
2-Bromo-4-fluoro-5-methylbenzonitrile
[1328640-88-5]
5-((2,2-Difluoroethoxy)methyl)-1-methyl-3-nitro-1H-pyrazole

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Complexity:	179
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	124.063662883
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	124.063662883
Rotatable Bond Count:	0
Topological Polar Surface Area:	44.1
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.8