6-oxa-3-azabicyclo[3.2.1]octane

• ChemBase ID: 277720
• Molecular Formular: C6H11NO
• Molecular Mass: 113.15764
• Monoisotopic Mass: 113.08406398
• SMILES: N1CC2COC(C2)C1
• Canonical SMILES: N1CC2OCC(C1)C2
• InChI: InChI=1S/C6H11NO/c1-5-2-7-3-6(1)8-4-5/h5-7H,1-4H2
• InChIKey: QJIFFAMGOQBKPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-oxa-3-azabicyclo[3.2.1]octane
• IUPAC Traditional name: 6-oxa-3-azabicyclo[3.2.1]octane
• Synonyms: 6-oxa-3-azabicyclo[3.2.1]octane

Database IDs

• MDL Number: MFCD19686515
• PubChem SID: 164333630
• PubChem CID: 54594726

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.4690304
• LogD (pH = 7.4): -2.4326112
• Log P: -0.28586143
• Molar Refractivity: 30.9883 cm^3
• Polarizability: 12.542403 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.14

Product Information

• Purity: 95%