1-cyano-N,N-dimethylcyclopentane-1-carboxamide

• ChemBase ID: 274368
• Molecular Formular: C9H14N2O
• Molecular Mass: 166.22026
• Monoisotopic Mass: 166.11061308
• SMILES: C1(C(=O)N(C)C)(C#N)CCCC1
• Canonical SMILES: CN(C(=O)C1(CCCC1)C#N)C
• InChI: InChI=1S/C9H14N2O/c1-11(2)8(12)9(7-10)5-3-4-6-9/h3-6H2,1-2H3
• InChIKey: AJSJIKWFYMANGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyano-N,N-dimethylcyclopentane-1-carboxamide
• IUPAC Traditional name: 1-cyano-N,N-dimethylcyclopentane-1-carboxamide
• Synonyms: 1-cyano-N,N-dimethylcyclopentane-1-carboxamide

Database IDs

• MDL Number: MFCD16104653
• PubChem SID: 164330278
• PubChem CID: 54593138

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.8916531
• LogD (pH = 7.4): 0.8916531
• Log P: 0.8916531
• Molar Refractivity: 46.058 cm^3
• Polarizability: 17.639381 Å^3
• Polar Surface Area: 44.1 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.38

Product Information

• Purity: 95%