2-azabicyclo[2.1.0]pentane

• ChemBase ID: 282093
• Molecular Formular: C4H7N
• Molecular Mass: 69.10508
• Monoisotopic Mass: 69.05784923
• SMILES: C12C(C1)NC2
• Canonical SMILES: C1NC2C1C2
• InChI: InChI=1S/C4H7N/c1-3-2-5-4(1)3/h3-5H,1-2H2
• InChIKey: DAPJDNAXUNPBRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-azabicyclo[2.1.0]pentane
• IUPAC Traditional name: 2-azabicyclo[2.1.0]pentane
• Synonyms: 2-azabicyclo[2.1.0]pentane

Database IDs

• MDL Number: MFCD11204140
• PubChem SID: 180667624
• PubChem CID: 22341341

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -3.4679441
• LogD (pH = 7.4): -2.9489844
• Log P: -0.23888592
• Molar Refractivity: 19.9448 cm^3
• Polarizability: 8.168262 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.198

Product Information

• Purity: 95%