Compound Identification
SMILES
C[C@@H](C=CC=O)N(C([O-])=O)C(C)(C)C
InChIKey
InChIKey=COCDBIGZVGUUHI-QMMMGPOBSA-M
Formula
C10H16NO3
Mass
198.243
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Alpha,beta-unsaturated carbonyl compounds
-
Level 6
Alpha,beta-unsaturated aldehydes
- Level 7 Enals
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Level 6
Alpha,beta-unsaturated aldehydes
-
Level 5
Alpha,beta-unsaturated carbonyl compounds
-
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
Alpha,beta-unsaturated carbonyl compounds - Alpha,beta-unsaturated aldehydes
Direct Parent
Enals
Alternative Parents
Molecular Framework
Aliphatic acyclic compounds
Substituents
Enal - Tertiary amine - Carbamic acid derivative - Carbamic acid - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Amine - Aldehyde - Organic anion - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as enals. These are an alpha,beta-unsaturated aldehyde of general formula RC=C-CH=O in which the aldehydic C=O function is conjugated to a C=C triple bond at the alpha,beta position.
External Descriptors
Not available