Molecule ID: 12502198

IUPAC Name: 4-methyl-1,4-dihydropyridine-3,5-dicarbaldehyde

Description: The molecule is a dialdehyde in which the two carbaldehyde functions are at positions 3 and 5 of 4-methyl-1,4-dihydropyridine. Although the compound is an entity in its own right, the nitrogen of the dihydropyridine ring may also arise from the epsilon-amino group of a lysine residue within a protein [MDHDC-protein adduct; malonaldedehyde (synonym malondialdehyde) acetaldehyde (MAA)-protein adduct]. It has a role as an epitope. It is a dialdehyde and a dihydropyridine.

SMILES: CC1C(C=O)=CNC=C1C=O

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

InChI: InChI=1S/C8H9NO2/c1-6-7(4-10)2-9-3-8(6)5-11/h2-6,9H,1H3

Molecular Properties:
- Polar Surface Area: 46.2 Ų
- LogP: -0.1