8-oxa-2-azaspiro[4.5]decan-3-one

• ChemBase ID: 284806
• Molecular Formular: C8H13NO2
• Molecular Mass: 155.19432
• Monoisotopic Mass: 155.09462866
• SMILES: N1C(=O)CC2(C1)CCOCC2
• Canonical SMILES: O=C1NCC2(C1)CCOCC2
• InChI: InChI=1S/C8H13NO2/c10-7-5-8(6-9-7)1-3-11-4-2-8/h1-6H2,(H,9,10)
• InChIKey: KPHVZBBAIJUNAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-oxa-2-azaspiro[4.5]decan-3-one
• IUPAC Traditional name: 8-oxa-2-azaspiro[4.5]decan-3-one
• Synonyms: 8-oxa-2-azaspiro[4.5]decan-3-one

Database IDs

• MDL Number: MFCD13180589
• PubChem SID: 180670337
• PubChem CID: 10583006

CALCULATED PROPERTIES

• Acid pKa: 14.572324
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.6591527
• LogD (pH = 7.4): -0.659152
• Log P: -0.659152
• Molar Refractivity: 40.6769 cm^3
• Polarizability: 15.936687 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 132 - 134°C
• Hydrophobicity(logP): -1.381

Product Information

• Purity: 95%