Molecule ID: 10241693

IUPAC Name: 4-[[tert-butyl(hydroxy)amino]methylidene]cyclohexa-2,5-dien-1-one

Description: The molecule is a nitrone that is the N-oxido derivative of 4-[(tert-butylimino)methyl]phenol. It has a role as a radical scavenger, an antineoplastic agent and a mammalian metabolite. It is a nitrone and a member of phenols.

SMILES: CC(C)(C)N(O)C=C1C=CC(=O)C=C1

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

InChI: InChI=1S/C11H15NO2/c1-11(2,3)12(14)8-9-4-6-10(13)7-5-9/h4-8,14H,1-3H3

Molecular Properties:
- Polar Surface Area: 40.5 Ų
- LogP: 1.5