octahydroindolizine-2-carbonitrile

• ChemBase ID: 274407
• Molecular Formular: C9H14N2
• Molecular Mass: 150.22086
• Monoisotopic Mass: 150.11569846
• SMILES: N12C(CC(C#N)C1)CCCC2
• Canonical SMILES: N#CC1CC2N(C1)CCCC2
• InChI: InChI=1S/C9H14N2/c10-6-8-5-9-3-1-2-4-11(9)7-8/h8-9H,1-5,7H2
• InChIKey: SRWHNGQWKIVCCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octahydroindolizine-2-carbonitrile
• IUPAC Traditional name: octahydroindolizine-2-carbonitrile
• Synonyms: octahydroindolizine-2-carbonitrile

Database IDs

• MDL Number: MFCD19381863
• PubChem SID: 164330317
• PubChem CID: 54593152

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.0368948
• LogD (pH = 7.4): -0.31406194
• Log P: 0.942701
• Molar Refractivity: 44.4065 cm^3
• Polarizability: 17.21714 Å^3
• Polar Surface Area: 27.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.685

Product Information

• Purity: 95%