8-azabicyclo[5.1.0]octane

• ChemBase ID: 259812
• Molecular Formular: C7H13N
• Molecular Mass: 111.18482
• Monoisotopic Mass: 111.10479942
• SMILES: N1C2C1CCCCC2
• Canonical SMILES: C1CCC2C(CC1)N2
• InChI: InChI=1S/C7H13N/c1-2-4-6-7(8-6)5-3-1/h6-8H,1-5H2
• InChIKey: YEHCKZHFJYGXMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-azabicyclo[5.1.0]octane
• IUPAC Traditional name: 8-azabicyclo[5.1.0]octane
• Synonyms: 8-azabicyclo[5.1.0]octane

Database IDs

• MDL Number: MFCD09841849
• PubChem SID: 164315722
• PubChem CID: 544549

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.93505865
• LogD (pH = 7.4): 0.7977169
• Log P: 1.4946342
• Molar Refractivity: 33.4088 cm^3
• Polarizability: 13.705201 Å^3
• Polar Surface Area: 21.94 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.249

Product Information

• Purity: 95%