Compound Identification
SMILES
NC1=C(C#N)[C@@H](C2=COC=C2)C2=C(CCCC2=O)O1
InChIKey
InChIKey=IHZCJVANZPHHSU-GFCCVEGCSA-N
Formula
C14H12N2O3
Mass
256.261
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
Pyrans Vinylogous esters Heteroaromatic compounds Furans Ketene acetals Oxacyclic compounds Nitriles Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cyclohexenone - Pyran - Furan - Vinylogous ester - Heteroaromatic compound - Ketene acetal or derivatives - Carbonitrile - Nitrile - Organoheterocyclic compound - Oxacycle - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organopnictogen compound - Primary aliphatic amine - Aromatic heteropolycyclic 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