2-(prop-2-en-1-yl)-9-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 562840
• Molecular Formular: C23H30N2O2
• Molecular Mass: 366.4965
• Monoisotopic Mass: 366.23072821
• SMILES: C(=O)(N1CCC2(CN(C(=O)CC2)CC=C)CC1)C1Cc2c(CC1)cccc2
• Canonical SMILES: C=CCN1CC2(CCN(CC2)C(=O)C2CCc3c(C2)cccc3)CCC1=O
• InChI: InChI=1S/C23H30N2O2/c1-2-13-25-17-23(10-9-21(25)26)11-14-24(15-12-23)22(27)20-8-7-18-5-3-4-6-19(18)16-20/h2-6,20H,1,7-17H2
• InChIKey: CHUNRKBOHADBCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(prop-2-en-1-yl)-9-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-(prop-2-en-1-yl)-9-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-allyl-9-(1,2,3,4-tetrahydronaphthalen-2-ylcarbonyl)-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9044464
• LogD (pH = 7.4): 2.9044473
• Log P: 2.9044473
• Molar Refractivity: 107.7205 cm^3
• Polarizability: 41.622925 Å^3
• Polar Surface Area: 40.62 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: 3.58
• LOG S: -4.93
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 3