2-(1-cyclopropylethylidene)propanedinitrile

• ChemBase ID: 82224
• Molecular Formular: C8H8N2
• Molecular Mass: 132.16252
• Monoisotopic Mass: 132.06874827
• SMILES: N#CC(=C(C1CC1)C)C#N
• Canonical SMILES: N#CC(=C(C1CC1)C)C#N
• InChI: InChI=1S/C8H8N2/c1-6(7-2-3-7)8(4-9)5-10/h7H,2-3H2,1H3
• InChIKey: NBGFGYXYMAHCID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-cyclopropylethylidene)propanedinitrile
• IUPAC Traditional name: 2-(1-cyclopropylethylidene)propanedinitrile
• Synonyms: 2-(1-cyclopropylethylidene)malononitrile

Database IDs

• MDL Number: MFCD00456991
• PubChem SID: 162069343
• PubChem CID: 568972

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4672796
• LogD (pH = 7.4): 1.4672796
• Log P: 1.4672796
• Molar Refractivity: 38.6272 cm^3
• Polarizability: 14.1786 Å^3
• Polar Surface Area: 47.58 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true