Compound Identification
SMILES
COC(=O)N1CCC(=O)C1C1=CC=C(C=C1)C#N
InChIKey
InChIKey=VMWDDYXZUZEHRZ-UHFFFAOYSA-N
Formula
C13H12N2O3
Mass
244.25
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolidines
- Subclass Phenylpyrrolidines
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Class
Pyrrolidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Phenylpyrrolidines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolidines
Alternative Parents
Pyrrolidine carboxylic acids Oxoprolines Benzonitriles Pyrrolidine-3-ones Pyrroles Methylcarbamates Cyclic ketones Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - Benzonitrile - Oxoproline - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Monocyclic benzene moiety - Benzenoid - 3-pyrrolidone - Pyrrolidone - Methylcarbamate - Pyrrole - Carbamic acid ester - Ketone - Cyclic ketone - Carbonitrile - Nitrile - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Cyanide - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
External Descriptors
Not available