2-oxa-7-azaspiro[4.4]nonane

• ChemBase ID: 237406
• Molecular Formular: C7H13NO
• Molecular Mass: 127.18422
• Monoisotopic Mass: 127.09971404
• SMILES: C12(CNCC1)COCC2
• Canonical SMILES: N1CCC2(C1)CCOC2
• InChI: InChI=1S/C7H13NO/c1-3-8-5-7(1)2-4-9-6-7/h8H,1-6H2
• InChIKey: UGQAXUDFJWQPHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-oxa-7-azaspiro[4.4]nonane
• IUPAC Traditional name: 2-oxa-7-azaspiro[4.4]nonane
• Synonyms: 2-oxa-7-azaspiro[4.4]nonane

Database IDs

• MDL Number: MFCD14581261
• PubChem SID: 164293316
• PubChem CID: 23111899

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.3953018
• LogD (pH = 7.4): -3.2614114
• Log P: -0.15528487
• Molar Refractivity: 35.8984 cm^3
• Polarizability: 14.382755 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.109

Product Information

• Purity: 95%