2-cyclohexylidenepropanedinitrile

• ChemBase ID: 81471
• Molecular Formular: C9H10N2
• Molecular Mass: 146.1891
• Monoisotopic Mass: 146.08439833
• SMILES: N#CC(=C1CCCCC1)C#N
• Canonical SMILES: N#CC(=C1CCCCC1)C#N
• InChI: InChI=1S/C9H10N2/c10-6-9(7-11)8-4-2-1-3-5-8/h1-5H2
• InChIKey: LFIASOWXJLMZNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclohexylidenepropanedinitrile
• IUPAC Traditional name: 2-cyclohexylidenepropanedinitrile
• Synonyms: 2-cyclohexylidenmalononitrile

Database IDs

• MDL Number: MFCD00019512
• PubChem SID: 162068590
• PubChem CID: 20365

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0693977
• LogD (pH = 7.4): 2.0693977
• Log P: 2.0693977
• Molar Refractivity: 43.2806 cm^3
• Polarizability: 16.018988 Å^3
• Polar Surface Area: 47.58 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true