7-[2-(cyclohex-1-en-1-yl)ethyl]-2-oxa-7-azaspiro[4.5]decan-8-one

• ChemBase ID: 720445
• Molecular Formular: C16H25NO2
• Molecular Mass: 263.3752
• Monoisotopic Mass: 263.18852905
• SMILES: N1(C(=O)CCC2(C1)COCC2)CCC1=CCCCC1
• Canonical SMILES: O=C1CCC2(CN1CCC1=CCCCC1)CCOC2
• InChI: InChI=1S/C16H25NO2/c18-15-6-8-16(9-11-19-13-16)12-17(15)10-7-14-4-2-1-3-5-14/h4H,1-3,5-13H2
• InChIKey: GREACEFQSYSTKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[2-(cyclohex-1-en-1-yl)ethyl]-2-oxa-7-azaspiro[4.5]decan-8-one
• IUPAC Traditional name: 7-[2-(cyclohex-1-en-1-yl)ethyl]-2-oxa-7-azaspiro[4.5]decan-8-one
• Synonyms: 7-(2-cyclohex-1-en-1-ylethyl)-2-oxa-7-azaspiro[4.5]decan-8-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.79575
• LogD (pH = 7.4): 1.7957503
• Log P: 1.7957503
• Molar Refractivity: 76.6926 cm^3
• Polarizability: 29.66981 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.74
• LOG S: -4.15
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 3