Molecule ID: 800

IUPAC Name: 2-(1H-indol-3-yl)acetaldehyde

Description: The molecule is an indoleacetaldehyde that is acetaldehyde in which one of the methyl hydrogens are replaced by a indol-3-yl group. It is an intermediate metabolite in the metabolism of tryptophan. It has a role as a human metabolite, a Saccharomyces cerevisiae metabolite, a bacterial metabolite and a mouse metabolite.

SMILES: O=CCc1c[nH]c2ccccc12

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

InChI: InChI=1S/C10H9NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,6-7,11H,5H2

Molecular Properties:
- Polar Surface Area: 32.9 Ų
- LogP: 1.3