Compound Identification
SMILES
COC(=O)C1C(CC(=CC1=O)N1CCCC1)C1=CC=CC=C1
InChIKey
InChIKey=AACYEUSXTBMXAC-UHFFFAOYSA-N
Formula
C18H21NO3
Mass
299.37
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
Benzene and substituted derivatives 1,3-dicarbonyl compounds Vinylogous amides Pyrrolidines Methyl esters Trialkylamines Amino acids and derivatives Monocarboxylic acids and derivatives Enamines Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cyclohexenone - Monocyclic benzene moiety - 1,3-dicarbonyl compound - Benzenoid - Pyrrolidine - Methyl ester - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Monocarboxylic acid or derivatives - Enamine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxide - Organonitrogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic 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