(1S,5S)-3-azabicyclo[3.1.0]hexan-1-ylmethanol

• ChemBase ID: 309506
• Molecular Formular: C6H11NO
• Molecular Mass: 113.15764
• Monoisotopic Mass: 113.08406398
• SMILES: [C@]12(C[C@@H]1CNC2)CO
• Canonical SMILES: OC[C@@]12CNC[C@H]2C1
• InChI: InChI=1S/C6H11NO/c8-4-6-1-5(6)2-7-3-6/h5,7-8H,1-4H2/t5-,6+/m1/s1
• InChIKey: SEHVUORORNIEOB-RITPCOANSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S,5S)-3-azabicyclo[3.1.0]hexan-1-ylmethanol
• IUPAC Traditional name: (1S,5S)-3-azabicyclo[3.1.0]hexan-1-ylmethanol
• Synonyms: rac-(1S,5S)-3-azabicyclo[3.1.0]hex-1-ylmethanol

Database IDs

• MDL Number: MFCD19982728

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.102699
• LogD (pH = 7.4): -3.7323923
• Log P: -0.86820024
• Molar Refractivity: 30.9472 cm^3
• Polarizability: 12.470543 Å^3
• Polar Surface Area: 32.26 Å^2