Compound Identification
SMILES
OCCC#CC1=CC=C(C=C1)[C@@H]1C[C@H]2CN(CCC3=CC=CC=C3)C(=O)[C@]22CCC[NH+]12
InChIKey
InChIKey=PQAUNTDWXAIAMO-KLJDGLGGSA-O
Formula
C27H31N2O2
Mass
415.556
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
Alpha amino acids and derivatives Diazaspirononane derivatives Pyrrolizidines Aralkylamines Pyrrolidine-2-ones N-alkylpyrrolidines Benzene and substituted derivatives Tertiary carboxylic acid amides Quaternary ammonium salts Pyrroles Trialkylamines Lactams Azacyclic compounds Primary alcohols Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrrolidine - Alpha-amino acid or derivatives - Diazaspirononane - Pyrrolizidine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - 2-pyrrolidone - Pyrrolidone - Tertiary carboxylic acid amide - Quaternary ammonium salt - Pyrrole - Lactam - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxamide group - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Amine - Organooxygen compound - Primary alcohol - Organic cation - Aromatic heteropolycyclic 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