1,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 309732
• Molecular Formular: C8H14N2O
• Molecular Mass: 154.20956
• Monoisotopic Mass: 154.11061308
• SMILES: N1C(=O)CCC21CCNCC2
• Canonical SMILES: O=C1CCC2(N1)CCNCC2
• InChI: InChI=1S/C8H14N2O/c11-7-1-2-8(10-7)3-5-9-6-4-8/h9H,1-6H2,(H,10,11)
• InChIKey: UXPXPVHFEUNLBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 1,8-diazaspiro[4.5]decan-2-one
• Synonyms: 1,8-diazaspiro[4.5]decan-2-one

Database IDs

• CAS Number: 1158749-93-9
• MDL Number: MFCD12406518

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.2311645
• LogD (pH = 7.4): -3.5299964
• Log P: -1.0120823
• Molar Refractivity: 42.3039 cm^3
• Polarizability: 16.74643 Å^3
• Polar Surface Area: 41.13 Å^2