hexanoic acid; 1-methyl-5-pyridin-3-yl-pyrrolidin-2-one

Systemtic Name: hexanoic acid; 1-methyl-5-pyridin-3-yl-pyrrolidin-2-one Openeye Name: hexanoic acid; 1-methyl-5-(3-pyridyl)pyrrolidin-2-one CAS Name: hexanoic acid; 1-methyl-5-(3-pyridinyl)-2-pyrrolidinone IUPAC Name: hexanoic acid; 1-methyl-5-pyridin-3-ylpyrrolidin-2-one Traditional Name: cotinine; hexanoic acid Formula: C16H24N2O3 MolecularWeight: 292.37336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)O.CN1C(CCC1=O)C2=CN=CC=C2

Isomeric SMILES

CCCCCC(=O)O.CN1C(CCC1=O)C2=CN=CC=C2

InChI

InChI=1S/C10H12N2O.C6H12O2/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8;1-2-3-4-5-6(7)8/h2-3,6-7,9H,4-5H2,1H3;2-5H2,1H3,(H,7,8)