(1R,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one

• ChemBase ID: 206356
• Molecular Formular: C15H20N2O
• Molecular Mass: 244.3321
• Monoisotopic Mass: 244.15756327
• SMILES: n12c([C@H]3CN4[C@@H]([C@H](C1)C3)CCCC4)cccc2=O
• Canonical SMILES: O=c1cccc2n1C[C@@H]1C[C@@H]2CN2[C@@H]1CCCC2
• InChI: InChI=1S/C15H20N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h3,5-6,11-13H,1-2,4,7-10H2/t11-,12+,13-/m1/s1
• InChIKey: FQEQMASDZFXSJI-FRRDWIJNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,9S,10R)-7,15-diazatetracyclo[7.7.1.0^2,^7.0^1^0,^1^5]heptadeca-2,4-dien-6-one
• IUPAC Traditional name: (1R,9S,10R)-7,15-diazatetracyclo[7.7.1.0^2,^7.0^1^0,^1^5]heptadeca-2,4-dien-6-one

Database IDs

• PubChem SID: 164262266
• PubChem CID: 1807519

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.2737594
• LogD (pH = 7.4): -0.78144383
• Log P: 1.0133275
• Molar Refractivity: 74.0352 cm^3
• Polarizability: 27.694344 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Genuine Natural Compounds