Molecule ID: 91820593

IUPAC Name: 5-(1-methyl-2,3-dihydro-1H-pyrrol-1-ium-5-yl)-1H-pyridin-2-one

Description: The molecule is an organic cation obtained by protonation of the tertiary amino function of 6-hydroxy-N-methylmyosmine; major species at pH 7.3. It has a role as a bacterial xenobiotic metabolite. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a 6-hydroxy-N-methylmyosmine.

SMILES: CN1CCC=C1c1ccc(O)[nH+]c1

SELFIES: [C][N][C][C][C][=C][Ring1][Branch1][C][=C][C][=C][Branch1][C][O][NH1+1][=C][Ring1][#Branch1]

InChI: InChI=1S/C10H12N2O/c1-12-6-2-3-9(12)8-4-5-10(13)11-7-8/h3-5,7H,2,6H2,1H3,(H,11,13)/p+1

Molecular Properties:
- Polar Surface Area: 33.5 Ų
- LogP: 0.4