Compound Identification
SMILES
CC(C)=CC(=O)OCC1CCN2CCC(O)C12
InChIKey
InChIKey=LBTHKJFPFBXYHC-UHFFFAOYSA-N
Formula
C13H21NO3
Mass
239.315
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Pyrrolizidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolizidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyrrolizidines
Alternative Parents
Fatty acid esters N-alkylpyrrolidines Enoate esters Trialkylamines Secondary alcohols Amino acids and derivatives 1,2-aminoalcohols Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Pyrrolizidine - Fatty acid ester - N-alkylpyrrolidine - Fatty acyl - Pyrrolidine - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - 1,2-aminoalcohol - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Alcohol - Amine - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrrolizidines. These are compounds containing a pyrrolizidine, which is a bicyclic ring system made up of two fused pyrrolidine ring sharing a nitrogen atom.
External Descriptors
Not available