2-azaspiro[5.5]undecan-1-one

• ChemBase ID: 309386
• Molecular Formular: C10H17NO
• Molecular Mass: 167.24808
• Monoisotopic Mass: 167.13101417
• SMILES: C1(=O)C2(CCCCC2)CCCN1
• Canonical SMILES: O=C1NCCCC21CCCCC2
• InChI: InChI=1S/C10H17NO/c12-9-10(7-4-8-11-9)5-2-1-3-6-10/h1-8H2,(H,11,12)
• InChIKey: KNPLIBPLMPTEQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-azaspiro[5.5]undecan-1-one
• IUPAC Traditional name: 2-azaspiro[5.5]undecan-1-one
• Synonyms: 2-azaspiro[5.5]undecan-1-one

Database IDs

• CAS Number: 1215295-79-6
• MDL Number: MFCD14702911

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.8339396
• LogD (pH = 7.4): 1.83394
• Log P: 1.83394
• Molar Refractivity: 47.9352 cm^3
• Polarizability: 18.897352 Å^3
• Polar Surface Area: 29.1 Å^2