Compound Identification
SMILES
CCOC(=O)C1(C(Cl)C(=O)N2C1CCC2=O)C(=O)OCC
InChIKey
InChIKey=NFCJMBRORUZEDE-UHFFFAOYSA-N
Formula
C13H16ClNO6
Mass
317.72
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolizidines
- Subclass Pyrrolizidinones
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Class
Pyrrolizidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolizidines
Subclass
Pyrrolizidinones
Intermediate Tree Nodes
Not available
Direct Parent
Pyrrolizidinones
Alternative Parents
Pyrrolidine carboxylic acids Pyrrolidine-2-ones N-substituted carboxylic acid imides Dicarboxylic acids and derivatives Dicarboximides Lactams Carboxylic acid esters Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Pyrrolizidinone - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Dicarboxylic acid or derivatives - Carboxylic acid imide, n-substituted - Pyrrolidone - 2-pyrrolidone - Carboxylic acid imide - Dicarboximide - Pyrrolidine - Carboxylic acid ester - Lactam - Azacycle - Carboxylic acid derivative - Organic oxide - Organochloride - Organohalogen compound - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Alkyl chloride - Organooxygen compound - Organopnictogen compound - Carbonyl group - Alkyl halide - Hydrocarbon derivative - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrrolizidinones. These are compounds containing a pyrrolizidine moiety which bears a ketone. Pyrrolizidine is a bicyclic ring system made up of two fused pyrrolidine ring sharing a nitrogen atom.
External Descriptors
Not available