Compound Identification
SMILES
O\C=C(/O)C(=O)C=O.CC(C)(C)CCNC(=O)OCCCC1=CN=CN1
InChIKey
InChIKey=AKBHEHYIBBRILG-FBJOJFRZSA-N
Formula
C17H27N3O6
Mass
369.418
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen 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 ketones
Direct Parent
Alpha-branched alpha,beta-unsaturated ketones
Alternative Parents
Vinylogous acids Imidazoles Heteroaromatic compounds Enones Carbamate esters Alpha-hydroxy ketones Alpha ketoaldehydes Acryloyl compounds Enediols Azacyclic compounds Short-chain aldehydes Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Alpha-branched alpha,beta-unsaturated-ketone - Acryloyl-group - Alpha-ketoaldehyde - Alpha-hydroxy ketone - Heteroaromatic compound - Azole - Vinylogous acid - Carbamic acid ester - Enone - Imidazole - Enediol - Ketone - Azacycle - Organoheterocyclic compound - Aldehyde - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Short-chain aldehyde - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha-branched alpha,beta-unsaturated ketones. These are alpha,beta-unsaturated ketones that carry a branch on the alpha carbon. They have the generic structure RC(=O)C(R')=C, R = organyl group and R'= any heteroatom.
External Descriptors
Not available