2-(2,3-dihydro-1H-inden-2-yl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 849497
• Molecular Formular: C17H22N2O
• Molecular Mass: 270.36938
• Monoisotopic Mass: 270.17321333
• SMILES: C12(C(=O)NCCC2)CN(C2Cc3c(C2)cccc3)CC1
• Canonical SMILES: O=C1NCCCC21CCN(C2)C1Cc2c(C1)cccc2
• InChI: InChI=1S/C17H22N2O/c20-16-17(6-3-8-18-16)7-9-19(12-17)15-10-13-4-1-2-5-14(13)11-15/h1-2,4-5,15H,3,6-12H2,(H,18,20)
• InChIKey: ZSEBFXMVGPVQJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3-dihydro-1H-inden-2-yl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-(2,3-dihydro-1H-inden-2-yl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-(2,3-dihydro-1H-inden-2-yl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.742648
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4537193
• LogD (pH = 7.4): -0.8606556
• Log P: 2.0311923
• Molar Refractivity: 80.0517 cm^3
• Polarizability: 30.981249 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 1.6
• LOG S: -2.54
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1