propyl 7-[(2E)-3-(furan-2-yl)prop-2-en-1-yl]-2,7-diazaspiro[4.5]decane-2-carboxylate

• ChemBase ID: 358766
• Molecular Formular: C19H28N2O3
• Molecular Mass: 332.43722
• Monoisotopic Mass: 332.20999277
• SMILES: N1(C(=O)OCCC)CC2(CN(C/C=C/c3occc3)CCC2)CC1
• Canonical SMILES: CCCOC(=O)N1CCC2(C1)CCCN(C2)C/C=C/c1ccco1
• InChI: InChI=1S/C19H28N2O3/c1-2-13-24-18(22)21-12-9-19(16-21)8-5-11-20(15-19)10-3-6-17-7-4-14-23-17/h3-4,6-7,14H,2,5,8-13,15-16H2,1H3/b6-3+
• InChIKey: SPWMGUAFUQLYSA-ZZXKWVIFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propyl 7-[(2E)-3-(furan-2-yl)prop-2-en-1-yl]-2,7-diazaspiro[4.5]decane-2-carboxylate
• IUPAC Traditional name: propyl 7-[(2E)-3-(furan-2-yl)prop-2-en-1-yl]-2,7-diazaspiro[4.5]decane-2-carboxylate
• Synonyms: propyl 7-[(2E)-3-(2-furyl)prop-2-en-1-yl]-2,7-diazaspiro[4.5]decane-2-carboxylate

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.5869429
• LogD (pH = 7.4): 2.3163517
• Log P: 2.858103
• Molar Refractivity: 95.2592 cm^3
• Polarizability: 36.621483 Å^3
• Polar Surface Area: 45.92 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.41
• LOG S: -3.53
• Polar Surface Area: 45.92 Å^2
• Rotatable Bonds: 6