Compound Identification
SMILES
COC(=O)[C@H]1C[C@@H]2CCC([C@H]1O2)=C(C#N)C#N
InChIKey
InChIKey=CDXUPKDCKJDCTH-INTQDDNPSA-N
Formula
C12H12N2O3
Mass
232.239
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Oxanes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Oxanes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Oxanes
Alternative Parents
Oxolanes Methyl esters Oxacyclic compounds Nitriles Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Oxane - Methyl ester - Oxolane - Carboxylic acid ester - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Carbonitrile - Nitrile - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as oxanes. These are compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms.
External Descriptors
Not available