Molecule ID: 736715

IUPAC Name: (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid

Description: The molecule is an alpha,beta-unsaturated monocarboxylic acid that is prop-2-enoic acid substituted by a 1H-imidazol-4-yl group at position 3. It is a metabolite of hidtidine. It has a role as a chromophore and a human metabolite. It is an alpha,beta-unsaturated monocarboxylic acid and a member of imidazoles. It is a conjugate acid of a urocanate.

SMILES: O=C(O)/C=C/c1cnc[nH]1

SELFIES: [O][=C][Branch1][C][O][/C][=C][/C][=C][N][=C][NH1][Ring1][Branch1]

InChI: InChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)/b2-1+

Molecular Properties:
- Polar Surface Area: 66.0 Ų
- LogP: 0.0