Molecule ID: 15030923

IUPAC Name: (E)-3-(1H-indol-2-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-2-yl group. It is an alpha,beta-unsaturated monocarboxylic acid and a member of indoles. It derives from an acrylic acid.

SMILES: O=C(O)/C=C/c1cc2ccccc2[nH]1

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

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

Molecular Properties:
- Polar Surface Area: 53.1 Ų
- LogP: 2.1