7-methyl-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 309216
• Molecular Formular: C9H16N2O
• Molecular Mass: 168.23614
• Monoisotopic Mass: 168.12626314
• SMILES: C1(=O)C2(CNCC2)CCCN1C
• Canonical SMILES: CN1CCCC2(C1=O)CNCC2
• InChI: InChI=1S/C9H16N2O/c1-11-6-2-3-9(8(11)12)4-5-10-7-9/h10H,2-7H2,1H3
• InChIKey: GDSSVYWSZYKWQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-methyl-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-methyl-2,7-diazaspiro[4.5]decan-6-one

Database IDs

• CAS Number: 1203797-13-0
• MDL Number: MFCD16249894

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.4778066
• LogD (pH = 7.4): -3.192195
• Log P: -0.24096943
• Molar Refractivity: 47.3063 cm^3
• Polarizability: 18.585028 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 0.0
• LOG S: -1.74
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 0