2,7-diazaspiro[4.5]decan-3-one

• ChemBase ID: 284604
• Molecular Formular: C8H14N2O
• Molecular Mass: 154.20956
• Monoisotopic Mass: 154.11061308
• SMILES: N1C(=O)CC2(C1)CNCCC2
• Canonical SMILES: O=C1NCC2(C1)CCCNC2
• InChI: InChI=1S/C8H14N2O/c11-7-4-8(6-10-7)2-1-3-9-5-8/h9H,1-6H2,(H,10,11)
• InChIKey: BBJZOKHHRARXIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,7-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 2,7-diazaspiro[4.5]decan-3-one
• Synonyms: 2,7-diazaspiro[4.5]decan-3-one

Database IDs

• MDL Number: MFCD12406549
• PubChem SID: 180670135
• PubChem CID: 54596077

CALCULATED PROPERTIES

• Acid pKa: 14.822404
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.0460505
• LogD (pH = 7.4): -3.450146
• Log P: -0.8206724
• Molar Refractivity: 42.2038 cm^3
• Polarizability: 16.74643 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.535

Product Information

• Purity: 95%