2-cyano-N-cyclopentylacetamide

• ChemBase ID: 252832
• Molecular Formular: C8H12N2O
• Molecular Mass: 152.19368
• Monoisotopic Mass: 152.09496301
• SMILES: N#CCC(=O)NC1CCCC1
• Canonical SMILES: N#CCC(=O)NC1CCCC1
• InChI: InChI=1S/C8H12N2O/c9-6-5-8(11)10-7-3-1-2-4-7/h7H,1-5H2,(H,10,11)
• InChIKey: YDHBUMSZDRJWRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyano-N-cyclopentylacetamide
• IUPAC Traditional name: 2-cyano-N-cyclopentylacetamide
• Synonyms: 2-cyano-N-cyclopentylacetamide

Database IDs

• CAS Number: 15112-75-1
• MDL Number: MFCD01359391
• PubChem SID: 164308742
• PubChem CID: 5093205

CALCULATED PROPERTIES

• LogD (pH = 5.5): 0.4978066
• LogD (pH = 7.4): 0.4631598
• Log P: 0.4982669
• Molar Refractivity: 41.0992 cm^3
• Polarizability: 15.804878 Å^3
• Polar Surface Area: 52.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 8.471885
• H Acceptors: 2
• H Donor: 1

PROPERTIES

Physical Property

• Melting Point: 92 - 94°C
• Hydrophobicity(logP): 0.051

Product Information

• Purity: 95%