Structure Information
Structure

Compound Identification

SMILES

NC(=O)C1C(C2=CC=CC=C2)C2(CC2)OC1=O

InChIKey

InChIKey=UIWOEEOOFYZUBE-UHFFFAOYSA-N

Formula

C13H13NO3

Mass

231.251

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Lactones

Subclass

Gamma butyrolactones

Intermediate Tree Nodes

Not available

Direct Parent

Gamma butyrolactones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Monocyclic benzene moiety - Gamma butyrolactone - 1,3-dicarbonyl compound - Benzenoid - Tetrahydrofuran - Carboxamide group - Carboxylic acid ester - Primary carboxylic acid amide - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Organopnictogen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as gamma butyrolactones. These are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom.

External Descriptors

Not available

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