Compound Identification
SMILES
O[C@]1(CC(NC=O)=CC1=O)C=C
InChIKey
InChIKey=PGQRZOUYTNKEBE-QMMMGPOBSA-N
Formula
C8H9NO3
Mass
167.164
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
- Level 5 Acyloins
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Not available
Direct Parent
Acyloins
Alternative Parents
Vinylogous amides Tertiary alcohols Secondary carboxylic acid amides Cyclic ketones Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
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