Compound Identification
SMILES
CN\C(C)=C1/C(=O)OC(C1=O)C1=CC=CC=C1
InChIKey
InChIKey=RRVMNUOFVYRNOZ-NTMALXAHSA-N
Formula
C13H13NO3
Mass
231.251
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactones
- Subclass Gamma butyrolactones
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Class
Lactones
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Lactones
Subclass
Gamma butyrolactones
Intermediate Tree Nodes
Not available
Direct Parent
Gamma butyrolactones
Alternative Parents
Furanones Benzene and substituted derivatives Vinylogous amides Oxolanes Enoate esters Cyclic ketones Amino acids and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Enamines Dialkylamines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Monocyclic benzene moiety - 3-furanone - Gamma butyrolactone - Benzenoid - Oxolane - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - Ketone - Cyclic ketone - Oxacycle - Secondary amine - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Enamine - Organic oxide - Organic oxygen compound - Organopnictogen compound - Aldehyde - Amine - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as gamma butyrolactones. These are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom.
External Descriptors
Not available