(1S,5R)-6-(furan-2-carbonyl)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane

• ChemBase ID: 193109
• Molecular Formular: C15H21NO2
• Molecular Mass: 247.33274
• Monoisotopic Mass: 247.15722892
• SMILES: N1(C(=O)c2occc2)[C@H]2C[C@@](C1)(CC(C2)(C)C)C
• Canonical SMILES: O=C(N1C[C@@]2(C[C@H]1CC(C2)(C)C)C)c1ccco1
• InChI: InChI=1S/C15H21NO2/c1-14(2)7-11-8-15(3,9-14)10-16(11)13(17)12-5-4-6-18-12/h4-6,11H,7-10H2,1-3H3/t11-,15-/m1/s1
• InChIKey: BQTUNRXWCZUNDW-IAQYHMDHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S,5R)-6-(furan-2-carbonyl)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
• IUPAC Traditional name: (1S,5R)-6-(furan-2-carbonyl)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane

Database IDs

• PubChem SID: 164249019
• PubChem CID: 906423

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.5426939
• LogD (pH = 7.4): 2.5426939
• Log P: 2.5426939
• Molar Refractivity: 69.8957 cm^3
• Polarizability: 26.991802 Å^3
• Polar Surface Area: 33.45 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds