(5s,7s)-5,7-dimethyl-2-(5-methylfuran-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

• ChemBase ID: 220550
• Molecular Formular: C15H20N2O2
• Molecular Mass: 260.3315
• Monoisotopic Mass: 260.15247789
• SMILES: [C@@]12(C(=O)[C@@]3(CN(C(N(C3)C2)c2oc(cc2)C)C1)C)C
• Canonical SMILES: O=C1[C@]2(C)CN3C[C@@]1(C)CN(C2)C3c1ccc(o1)C
• InChI: InChI=1S/C15H20N2O2/c1-10-4-5-11(19-10)12-16-6-14(2)7-17(12)9-15(3,8-16)13(14)18/h4-5,12H,6-9H2,1-3H3/t12?,14-,15+
• InChIKey: WFCUVGDTZPECRK-LQDVMPOASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5s,7s)-5,7-dimethyl-2-(5-methylfuran-2-yl)-1,3-diazatricyclo[3.3.1.1^3,^7]decan-6-one
• IUPAC Traditional name: (1r,5R,7S)-5,7-dimethyl-2-(5-methylfuran-2-yl)-1,3-diazatricyclo[3.3.1.1^3,^7]decan-6-one

Database IDs

• PubChem SID: 164276460
• PubChem CID: 17572345

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7821473
• LogD (pH = 7.4): 2.1675644
• Log P: 2.1755495
• Molar Refractivity: 72.5512 cm^3
• Polarizability: 28.309656 Å^3
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds