Compound Identification
SMILES
CCCCOC(=O)C(C#N)=C1CCC(N)=C1
InChIKey
InChIKey=RALISPYEVZDUGA-UHFFFAOYSA-N
Formula
C12H16N2O2
Mass
220.272
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Carboxylic acid derivatives
-
Level 5
Carboxylic acid esters
-
Level 6
Alpha,beta-unsaturated carboxylic esters
- Level 7 Enoate esters
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Level 6
Alpha,beta-unsaturated carboxylic esters
-
Level 5
Carboxylic acid esters
-
Subclass
Carboxylic acid derivatives
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Carboxylic acid derivatives
Intermediate Tree Nodes
Carboxylic acid esters - Alpha,beta-unsaturated carboxylic esters
Direct Parent
Enoate esters
Alternative Parents
Amino acids and derivatives Nitriles Monocarboxylic acids and derivatives Enamines Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Enoate ester - Amino acid or derivatives - Enamine - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Amine - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Primary aliphatic amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aliphatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as enoate esters. These are an alpha,beta-unsaturated carboxylic ester of general formula R1C(R2)=C(R3)C(=O)OR4 (R4= organyl compound) in which the ester C=O function is conjugated to a C=C double bond at the alpha,beta position.
External Descriptors
Not available