(1R,2R,6S,7S)-10-oxa-4-azatricyclo[5.2.1.02,6]decane

• ChemBase ID: 309149
• Molecular Formular: C8H13NO
• Molecular Mass: 139.19492
• Monoisotopic Mass: 139.09971404
• SMILES: O1[C@H]2[C@@H]3[C@H]([C@@H]1CC2)CNC3
• Canonical SMILES: N1C[C@@H]2[C@H](C1)[C@@H]1O[C@H]2CC1
• InChI: InChI=1S/C8H13NO/c1-2-8-6-4-9-3-5(6)7(1)10-8/h5-9H,1-4H2/t5-,6+,7+,8-
• InChIKey: GPLRZNABQAUBOS-SOSBWXJGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,2R,6S,7S)-10-oxa-4-azatricyclo[5.2.1.0^2,^6]decane
• IUPAC Traditional name: (1R,2R,6S,7S)-10-oxa-4-azatricyclo[5.2.1.0^2,^6]decane
• Synonyms: rac-(1R,2R,6S,7S)-10-oxa-4-azatricyclo[5.2.1.0~2,6~]decane

Database IDs

• MDL Number: MFCD18917046

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