Structure Information
Structure

Compound Identification

SMILES

O[C@]1(CC(NC=O)=CC1=O)C=C

InChIKey

InChIKey=PGQRZOUYTNKEBE-QMMMGPOBSA-N

Formula

C8H9NO3

Mass

167.164

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbonyl compounds

Intermediate Tree Nodes

Not available

Direct Parent

Acyloins

Alternative Parents

Molecular Framework

Aliphatic homomonocyclic compounds

Substituents

Acyloin - Vinylogous amide - Tertiary alcohol - Cyclic ketone - Secondary carboxylic acid amide - Ketone - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Alcohol - Aliphatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as acyloins. These are organic compounds containing an alpha hydroxy ketone. Acyloins are formally derived from reductive coupling of carboxylic acyl groups.

External Descriptors

CHEBI:66424 : tertiary alcohol - formamides - alicyclic ketone

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