(3R,5R)-3-cyclopropyl-5-methyl-2-oxo-pyrrolidine-3-carbonitrile - ≥97% , CAS No.1462290-03-4

CAS: 1462290-03-4 Cat. No.: C629351 Molecular Weight: 164.2 PubChem CID: 117840481

GRADE & PURITY ≥97%

Synonyms

(3R,5R)-3-cyclopropyl-5-methyl-2-oxo-pyrrolidine-3-carbonitrile | 1462290-03-4 | SCHEMBL16423678 | MFCD32900907 | D96905 | (3R,5R)-3-Cyclopropyl-5-methyl-2-oxopyrrolidine-3-carbonitrile | Rel-(3R,5R)-3-cyclopropyl-5-methyl-2-oxopyrrolidine-3-carbonitrile

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

(3R, 5R)-3-cyclopropyl-5-methyl-2-oxo-pyrrolidine-3-carbonitrile | 1462290-03-4 | SCHEMBL16423678 | MFCD32900907 | D96905 | (3R, 5R)-3-Cyclopropyl-5-methyl-2-oxopyrrolidine-3-carbonitrile | Rel-(3R, 5R)-3-cyclopropyl-5-methyl-2-oxopyrrolidine-3-carbonitrile

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC1CC(C(=O)N1)(C#N)C2CC2
• IUPAC Name: (3R,5R)-3-cyclopropyl-5-methyl-2-oxopyrrolidine-3-carbonitrile
• InChIKey: OFLIZMHGJUWIHY-MUWHJKNJSA-N
• INCHI: 1S/C9H12N2O/c1-6-4-9(5-10,7-2-3-7)8(12)11-6/h6-7H,2-4H2,1H3,(H,11,12)/t6-,9+/m1/s1
• Isomeric SMILES: C[C@@H]1C[C@](C(=O)N1)(C#N)C2CC2
• PubChem CID: 117840481
• Molecular Weight: 164.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty amides

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty amides
• Intermediate Tree Nodes: Not available
• Direct Parent: N-acyl amines
• Alternative Parents: Pyrrolidine-2-ones Lactams Nitriles Carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 2-pyrrolidone - Pyrrolidone - N-acyl-amine - Pyrrolidine - Lactam - Carboxamide group - Azacycle - Organoheterocyclic compound - Nitrile - Carbonitrile - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-acyl amines. These are compounds containing a fatty acid moiety linked to an amine group through an ester linkage.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y