2-cyclopentyl-9-[(2E)-3-phenylprop-2-en-1-yl]-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 832412
• Molecular Formular: C23H32N2O
• Molecular Mass: 352.51298
• Monoisotopic Mass: 352.25146365
• SMILES: N1(C(=O)CCC2(C1)CCN(CC2)C/C=C/c1ccccc1)C1CCCC1
• Canonical SMILES: O=C1CCC2(CN1C1CCCC1)CCN(CC2)C/C=C/c1ccccc1
• InChI: InChI=1S/C23H32N2O/c26-22-12-13-23(19-25(22)21-10-4-5-11-21)14-17-24(18-15-23)16-6-9-20-7-2-1-3-8-20/h1-3,6-9,21H,4-5,10-19H2/b9-6+
• InChIKey: DTCNZEDBMMSDCH-RMKNXTFCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopentyl-9-[(2E)-3-phenylprop-2-en-1-yl]-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-cyclopentyl-9-[(2E)-3-phenylprop-2-en-1-yl]-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-cyclopentyl-9-[(2E)-3-phenylprop-2-en-1-yl]-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.76949453
• LogD (pH = 7.4): 2.487087
• Log P: 3.7638035
• Molar Refractivity: 108.4946 cm^3
• Polarizability: 42.04894 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.16
• LOG S: -5.32
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 4