2-azabicyclo[3.1.0]hexane

• ChemBase ID: 282221
• Molecular Formular: C5H9N
• Molecular Mass: 83.13166
• Monoisotopic Mass: 83.07349929
• SMILES: C12CC1CCN2
• Canonical SMILES: C1CC2C(N1)C2
• InChI: InChI=1S/C5H9N/c1-2-6-5-3-4(1)5/h4-6H,1-3H2
• InChIKey: WSSDGZWSPMAECX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-azabicyclo[3.1.0]hexane
• IUPAC Traditional name: 2-azabicyclo[3.1.0]hexane
• Synonyms: 2-azabicyclo[3.1.0]hexane

Database IDs

• MDL Number: MFCD09054980
• PubChem SID: 180667752
• PubChem CID: 17783223

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -3.0756748
• LogD (pH = 7.4): -2.9295628
• Log P: 0.16412601
• Molar Refractivity: 24.6446 cm^3
• Polarizability: 10.013423 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.361

Product Information

• Purity: 95%