4-[2-(cyclohex-1-en-1-yl)pyridine-4-carbonyl]morpholine

• ChemBase ID: 360354
• Molecular Formular: C16H20N2O2
• Molecular Mass: 272.3422
• Monoisotopic Mass: 272.15247789
• SMILES: C(=O)(N1CCOCC1)c1cc(C2=CCCCC2)ncc1
• Canonical SMILES: O=C(c1ccnc(c1)C1=CCCCC1)N1CCOCC1
• InChI: InChI=1S/C16H20N2O2/c19-16(18-8-10-20-11-9-18)14-6-7-17-15(12-14)13-4-2-1-3-5-13/h4,6-7,12H,1-3,5,8-11H2
• InChIKey: KHIJGGDCTRLHPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(cyclohex-1-en-1-yl)pyridine-4-carbonyl]morpholine
• IUPAC Traditional name: 4-[2-(cyclohex-1-en-1-yl)pyridine-4-carbonyl]morpholine
• Synonyms: 4-(2-cyclohex-1-en-1-ylisonicotinoyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.0680764
• LogD (pH = 7.4): 2.0690465
• Log P: 2.069059
• Molar Refractivity: 78.517 cm^3
• Polarizability: 29.745329 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.76
• LOG S: -1.84
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 2