Compound Identification
SMILES
O=C1CCC(O1)C(=C\CC1=CC=CC=C1)\C#N
InChIKey
InChIKey=UIJKWOLVVOFAGP-KPKJPENVSA-N
Formula
C14H13NO2
Mass
227.263
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
Benzene and substituted derivatives Oxolanes Carboxylic acid esters Oxacyclic compounds Nitriles Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Monocyclic benzene moiety - Gamma butyrolactone - Benzenoid - Oxolane - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Oxacycle - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - 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