(5s,7s)-2-(but-3-en-1-yl)-2,5,7-trimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

• ChemBase ID: 187133
• Molecular Formular: C15H24N2O
• Molecular Mass: 248.36386
• Monoisotopic Mass: 248.1888634
• SMILES: [C@]12(C(=O)[C@@]3(CN(C(N(C1)C3)(CCC=C)C)C2)C)C
• Canonical SMILES: C=CCCC1(C)N2C[C@@]3(CN1C[C@](C2)(C3=O)C)C
• InChI: InChI=1S/C15H24N2O/c1-5-6-7-15(4)16-8-13(2)9-17(15)11-14(3,10-16)12(13)18/h5H,1,6-11H2,2-4H3/t13-,14+,15?
• InChIKey: XCTAHCNNKFCMHN-YIONKMFJSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164243043
• PubChem CID: 1560036

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.79738444
• LogD (pH = 7.4): 2.3893194
• Log P: 2.6751094
• Molar Refractivity: 74.0489 cm^3
• Polarizability: 29.061657 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds