Molecule ID: 46878545

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

Description: The molecule is an N-substituted pyrraline that is pyrraline in which the hydrogen attached to the pyrrole nitrogen has been replaced by a neopentyl (2,2-dimethylpropyl) group.

SMILES: CC(C)(C)Cn1c(C=O)ccc1CO

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

InChI: InChI=1S/C11H17NO2/c1-11(2,3)8-12-9(6-13)4-5-10(12)7-14/h4-6,14H,7-8H2,1-3H3

Molecular Properties:
- Polar Surface Area: 42.2 Ų
- LogP: 1.3