Cynometrine

(3R,4S)-3-[(S)-hydroxy(phenyl)methyl]-1-methyl-4-(1-methylimidazol-4-yl)pyrrolidin-2-one

Also Known As: Cynometrine|(3R,4S)-3-[(S)-hydroxy(phenyl)methyl]-1-methyl-4-(1-methylimidazol-4-yl)pyrrolidin-2-one|-3-[-hydroxy-phenyl-methyl]-1-methyl-4- pyrrolidin-2-one|-3-[ -hydroxy-phenyl-methyl]-1-methyl-4- pyrrolidin-2-one|(3R,4S)-3-[(S)-hydroxy(phenyl)methyl]-1-methyl-4-(1-methyl-1H-imidazol-4-yl)pyrrolidin-2-one|3-[Hydroxy(phenyl)methyl]-1-methyl-4-(1-methyl-1H-imidazol-4-yl)pyrrolidin-2-one|(3R,4S)-3-((S)-Hydroxy-phenyl-methyl)-1-methyl-4-(1-methyl-1H-imidazol-4-yl)-pyrrolidin-2-one|(3R,4S)-3-((S)-Hydroxyphenylmethyl)-1-methyl-4-(1-methyl-1H-imidazol-4-yl)-2-pyrrolidinone|(3R,4S)-3-[(S)-HYDROXY-PHENYL-METHYL]-1-METHYL-4-(1-METHYLIMIDAZOL-4-YL)PYRROLIDIN-2-ONE|(3R,4S)-3-[(S)-Hydroxyphenylmethyl]-1-methyl-4-(1-methyl-1H-imidazol-4-yl)-2-pyrrolidinone|1-Methyl-3beta-[(S)-alpha-hydroxybenzyl]-4alpha-(1-methyl-1H-imidazol-4-yl)pyrrolidin-2-one

Molecular Formula	C16H19N3O2
Molecular Weight	285.14774 g/mol
LogP	0.7
Topological Polar Surface Area	58.4 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	3
Exact Mass	285.14774
Monoisotopic Mass	285.14774
Heavy Atoms	21
Complexity	384.0

Chemical Identifiers

CAS Number	50656-83-2
SMILES	CN1C[C@H]([C@@H](C1=O)[C@@H](C2=CC=CC=C2)O)C3=CN(C=N3)C
InChIKey	UJMVRXMFOYOOMI-NWANDNLSSA-N