9-(cyclohex-3-ene-1-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 430845
• Molecular Formular: C19H30N2O3
• Molecular Mass: 334.4531
• Monoisotopic Mass: 334.22564283
• SMILES: N1(C(=O)CCC2(C1)CCN(C(=O)C1CC=CCC1)CC2)CCOC
• Canonical SMILES: COCCN1CC2(CCN(CC2)C(=O)C2CCC=CC2)CCC1=O
• InChI: InChI=1S/C19H30N2O3/c1-24-14-13-21-15-19(8-7-17(21)22)9-11-20(12-10-19)18(23)16-5-3-2-4-6-16/h2-3,16H,4-15H2,1H3
• InChIKey: VPINBHWLMBQEPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(cyclohex-3-ene-1-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 9-(cyclohex-3-ene-1-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 9-(3-cyclohexen-1-ylcarbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• Polarizability: 36.41353 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.0062108
• LogD (pH = 7.4): 1.0062122
• Log P: 1.0062122
• Molar Refractivity: 94.7837 cm^3

供应商提供(Chembridge)

• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 4
• H Acceptors: 3
• H Donor: 0
• Log P: 1.68
• LOG S: -3.07