Molecule ID: 12416228

IUPAC Name: 5-(hydroxymethyl)-1H-pyrrole-2-carbaldehyde

Description: The molecule is a pyrrole having formyl and hydroxymethyl substituents at positions 2 and 5 respectively; useful as indicator of advanced stages of the Maillard reaction, which produces advanced glycation end-products (AGEs). It has a role as a hapten. It is a member of pyrroles, an aldehyde and an aromatic primary alcohol.

SMILES: O=Cc1ccc(CO)[nH]1

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

InChI: InChI=1S/C6H7NO2/c8-3-5-1-2-6(4-9)7-5/h1-3,7,9H,4H2

Molecular Properties:
- Polar Surface Area: 53.1 Ų
- LogP: -0.3