1,3-dioxa-8-azaspiro[4.5]decan-2-one

• ChemBase ID: 309192
• Molecular Formular: C7H11NO3
• Molecular Mass: 157.16714
• Monoisotopic Mass: 157.07389322
• SMILES: C1(=O)OC2(CO1)CCNCC2
• Canonical SMILES: O=C1OCC2(O1)CCNCC2
• InChI: InChI=1S/C7H11NO3/c9-6-10-5-7(11-6)1-3-8-4-2-7/h8H,1-5H2
• InChIKey: LWUMZEBRKKPBIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-dioxa-8-azaspiro[4.5]decan-2-one
• IUPAC Traditional name: 1,3-dioxa-8-azaspiro[4.5]decan-2-one
• Synonyms: 1,3-dioxa-8-azaspiro[4.5]decan-2-one

Database IDs

• CAS Number: 1227465-63-5
• MDL Number: MFCD16556116

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.2809384
• LogD (pH = 7.4): -2.5753434
• Log P: -0.062158562
• Molar Refractivity: 37.1134 cm^3
• Polarizability: 15.218434 Å^3
• Polar Surface Area: 47.56 Å^2