(2R,9R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one

• ChemBase ID: 304115
• Molecular Formular: C15H24N2O
• Molecular Mass: 248.36386
• Monoisotopic Mass: 248.1888634
• SMILES: C1CC(=O)N2[C@H](C1)[C@H]1CN3[C@H]([C@@H](C2)C1)CCCC3
• Canonical SMILES: O=C1CCC[C@H]2N1C[C@H]1C[C@@H]2CN2[C@H]1CCCC2
• InChI: InChI=1S/C15H24N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h11-14H,1-10H2/t11?,12?,13-,14+/m0/s1
• InChIKey: JYIJIIVLEOETIQ-CLRIEMFWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,9R,10S)-7,15-diazatetracyclo[7.7.1.0^2,^7.0^1^0,^1^5]heptadecan-6-one
• IUPAC Traditional name: (2R,9R,10S)-7,15-diazatetracyclo[7.7.1.0^2,^7.0^1^0,^1^5]heptadecan-6-one
• Synonyms: 2-Oxosparteine; Lupanine

Database IDs

• CAS Number: 550-90-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.3544316
• LogD (pH = 7.4): -1.247829
• Log P: 1.0759273
• Molar Refractivity: 71.4485 cm^3
• Polarizability: 28.175423 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Oil

Product Information

• Purity: 97.0