6-azabicyclo[3.2.0]heptane

• ChemBase ID: 277353
• Molecular Formular: C6H11N
• Molecular Mass: 97.15824
• Monoisotopic Mass: 97.08914936
• SMILES: N1C2C(C1)CCC2
• Canonical SMILES: C1CC2C(C1)CN2
• InChI: InChI=1S/C6H11N/c1-2-5-4-7-6(5)3-1/h5-7H,1-4H2
• InChIKey: GWFZPCFEIOINER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-azabicyclo[3.2.0]heptane
• IUPAC Traditional name: 6-azabicyclo[3.2.0]heptane
• Synonyms: 6-azabicyclo[3.2.0]heptane

Database IDs

• MDL Number: MFCD11204149
• PubChem SID: 164333263
• PubChem CID: 19003653

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.5877318
• LogD (pH = 7.4): -2.350787
• Log P: 0.6502514
• Molar Refractivity: 29.1468 cm^3
• Polarizability: 11.859141 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.69

Product Information

• Purity: 95%