2-oxa-8-azaspiro[4.5]decan-1-one hydrochloride

• ChemBase ID: 286424
• Molecular Formular: C8H14ClNO2
• Molecular Mass: 191.65526
• Monoisotopic Mass: 191.07130637
• SMILES: C1(=O)C2(CCO1)CCNCC2.Cl
• Canonical SMILES: O=C1OCCC21CCNCC2.Cl
• InChI: InChI=1S/C8H13NO2.ClH/c10-7-8(3-6-11-7)1-4-9-5-2-8;/h9H,1-6H2;1H
• InChIKey: KPGCANIHGVTRKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-oxa-8-azaspiro[4.5]decan-1-one hydrochloride
• IUPAC Traditional name: 2-oxa-8-azaspiro[4.5]decan-1-one hydrochloride
• Synonyms: 2-oxa-8-azaspiro[4.5]decan-1-one hydrochloride

Database IDs

• MDL Number: MFCD11035931
• PubChem SID: 180671955
• PubChem CID: 55265571

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.080992
• LogD (pH = 7.4): -2.0868304
• Log P: 0.10860765
• Molar Refractivity: 40.6138 cm^3
• Polarizability: 16.31348 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.231

Product Information

• Purity: 95%