10-oxa-4-azatricyclo[5.2.1.02,6]decane

• ChemBase ID: 284305
• Molecular Formular: C8H13NO
• Molecular Mass: 139.19492
• Monoisotopic Mass: 139.09971404
• SMILES: O1C2C3C(C1CC2)CNC3
• Canonical SMILES: N1CC2C(C1)C1OC2CC1
• InChI: InChI=1S/C8H13NO/c1-2-8-6-4-9-3-5(6)7(1)10-8/h5-9H,1-4H2
• InChIKey: GPLRZNABQAUBOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 10-oxa-4-azatricyclo[5.2.1.0^2,^6]decane
• IUPAC Traditional name: 10-oxa-4-azatricyclo[5.2.1.0^2,^6]decane
• Synonyms: 10-oxa-4-azatricyclo[5.2.1.0^{2,6}]decane

Database IDs

• MDL Number: MFCD20502125
• PubChem SID: 180669836
• PubChem CID: 22087852

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.4008465
• LogD (pH = 7.4): -3.295751
• Log P: -0.16034396
• Molar Refractivity: 38.2087 cm^3
• Polarizability: 15.496384 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 53 - 55°C
• Hydrophobicity(logP): -0.0020

Product Information

• Purity: 95%