non-8-enenitrile

• ChemBase ID: 86425
• Molecular Formular: C9H15N
• Molecular Mass: 137.2221
• Monoisotopic Mass: 137.12044949
• SMILES: N#CCCCCCCC=C
• Canonical SMILES: C=CCCCCCCC#N
• InChI: InChI=1S/C9H15N/c1-2-3-4-5-6-7-8-9-10/h2H,1,3-8H2
• InChIKey: AFXXJCGHWSTDDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: non-8-enenitrile
• IUPAC Traditional name: non-8-enenitrile
• Synonyms: Non-8-enenitrile

Database IDs

• MDL Number: MFCD09801067
• PubChem SID: 162073541
• PubChem CID: 14922727

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.898563
• LogD (pH = 7.4): 2.898563
• Log P: 2.898563
• Molar Refractivity: 43.9 cm^3
• Polarizability: 16.927809 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true