Compound Identification
SMILES
OCC[C@H]1ON2CC[C@@H]3OC(=O)[C@H]1[C@H]23
InChIKey
InChIKey=MWGDPQDHCRJDAE-ULAWRXDQSA-N
Formula
C9H13NO4
Mass
199.206
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
Pyrrolidines Oxolanes Isoxazolidines Carboxylic acid esters Oxacyclic compounds N-organohydroxylamines Monocarboxylic acids and derivatives Azacyclic compounds Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Gamma butyrolactone - Isoxazolidine - Oxolane - Pyrrolidine - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Azacycle - N-organohydroxylamine - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Primary alcohol - Alcohol - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aliphatic heteropolycyclic 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