Molecule ID: 5375048

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

Description: The molecule is an alpha,beta-unsaturated monocarboxylic acid that is acrylic acid in which one of the hydrogens at position 3 is replaced by an indol-3-yl group. It is an alpha,beta-unsaturated monocarboxylic acid and a member of indoles. It derives from an acrylic acid. It is a conjugate acid of an (E)-3-(indol-3-yl)acrylate(1-).

SMILES: O=C(O)/C=C/c1c[nH]c2ccccc12

SELFIES: [O][=C][Branch1][C][O][/C][=C][/C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1]

InChI: InChI=1S/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7,12H,(H,13,14)/b6-5+

Molecular Properties:
- Polar Surface Area: 53.1 Ų
- LogP: 2.2