Compound Identification
SMILES
CCC\C(=N/OCC=C)C1=C(N)CC(C)(C)C(C(=O)OC)C1=O
InChIKey
InChIKey=HGFFATBWODNCBG-XDHOZWIPSA-N
Formula
C17H26N2O4
Mass
322.405
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Cyclic ketones
- Level 7 Cyclohexenones
-
Level 6
Cyclic ketones
-
Level 5
Ketones
-
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
Ketones - Cyclic ketones
Direct Parent
Cyclohexenones
Alternative Parents
1,3-dicarbonyl compounds Vinylogous amides Methyl esters Oxime ethers Amino acids and derivatives Monocarboxylic acids and derivatives Enamines Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Cyclohexenone - 1,3-dicarbonyl compound - Methyl ester - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - Oxime ether - Monocarboxylic acid or derivatives - Enamine - Carboxylic acid derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as cyclohexenones. These are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond.
External Descriptors
Not available