9-ethyl-1-methyl-4-(pyrrolidine-1-carbonyl)-1,4,9-triazaspiro[5.6]dodecan-10-one

• ChemBase ID: 406602
• Molecular Formular: C17H30N4O2
• Molecular Mass: 322.4457
• Monoisotopic Mass: 322.23687622
• SMILES: C(=O)(N1CC2(N(CC1)C)CCN(C(=O)CC2)CC)N1CCCC1
• Canonical SMILES: CCN1CCC2(CCC1=O)CN(CCN2C)C(=O)N1CCCC1
• InChI: InChI=1S/C17H30N4O2/c1-3-19-11-8-17(7-6-15(19)22)14-21(13-12-18(17)2)16(23)20-9-4-5-10-20/h3-14H2,1-2H3
• InChIKey: FFFRTJLWSNWWEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-ethyl-1-methyl-4-(pyrrolidine-1-carbonyl)-1,4,9-triazaspiro[5.6]dodecan-10-one
• IUPAC Traditional name: 9-ethyl-1-methyl-4-(pyrrolidine-1-carbonyl)-1,4,9-triazaspiro[5.6]dodecan-10-one
• Synonyms: 9-ethyl-1-methyl-4-(pyrrolidin-1-ylcarbonyl)-1,4,9-triazaspiro[5.6]dodecan-10-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.479739
• LogD (pH = 7.4): -0.7883997
• Log P: -0.34336725
• Molar Refractivity: 90.6799 cm^3
• Polarizability: 34.946804 Å^3
• Polar Surface Area: 47.1 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.41
• LOG S: -2.76
• Polar Surface Area: 47.1 Å^2
• Rotatable Bonds: 1