Compound Identification
SMILES
OCC(O)C1CCC(=O)N1CC1=CC=CC=C1
InChIKey
InChIKey=VFYLTBHVDWURQY-UHFFFAOYSA-N
Formula
C13H17NO3
Mass
235.283
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzene and substituted derivatives
Alternative Parents
Pyrrolidine-2-ones N-alkylpyrrolidines Tertiary carboxylic acid amides Tertiary amines Secondary alcohols Lactams Amino acids and derivatives 1,2-diols Azacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Pyrrolidine - Tertiary carboxylic acid amide - Tertiary amine - Secondary alcohol - Amino acid or derivatives - Carboxamide group - 1,2-diol - Lactam - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Primary alcohol - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Amine - Alcohol - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
External Descriptors
Not available