Molecule ID: 162602

IUPAC Name: 4-(2-aminoethyl)cyclohexa-3,5-diene-1,2-dione

Description: The molecule is a member of the class of 1,2-benzoquinones that is 1,2-benzoquinone in which a hydrogen at para to one of the oxo groups has been replaced by a 2-aminoethyl group. It has a role as a metabolite. It is a primary amino compound and a member of 1,2-benzoquinones. It derives from a 1,2-benzoquinone.

SMILES: NCCC1=CC(=O)C(=O)C=C1

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

InChI: InChI=1S/C8H9NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5H,3-4,9H2

Molecular Properties:
- Polar Surface Area: 60.2 Ų
- LogP: -0.8