Compound Identification
SMILES
OCC(O)CNC1=C(C=C(C=C1)N1CCCC1)[N+]([O-])=O
InChIKey
InChIKey=OEUHTXBUWFVVEZ-UHFFFAOYSA-N
Formula
C13H19N3O4
Mass
281.312
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolidines
- Subclass Phenylpyrrolidines
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Class
Pyrrolidines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Phenylpyrrolidines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolidines
Alternative Parents
Nitrobenzenes Phenylalkylamines Aniline and substituted anilines Dialkylarylamines Nitroaromatic compounds Secondary alkylarylamines Pyrroles 1,3-aminoalcohols Secondary alcohols 1,2-aminoalcohols 1,2-diols Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Primary alcohols Organic salts Organic zwitterions Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylpyrrolidine - Nitrobenzene - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Phenylalkylamine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - Pyrrole - 1,3-aminoalcohol - Organic nitro compound - C-nitro compound - 1,2-aminoalcohol - Secondary alcohol - 1,2-diol - Tertiary amine - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Azacycle - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Primary alcohol - Amine - Organic salt - Organic zwitterion - Organic oxide - 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