2,3-dihydrospiro[indene-1,4'-piperidine]-3-one

• ChemBase ID: 288956
• Molecular Formular: C13H15NO
• Molecular Mass: 201.2643
• Monoisotopic Mass: 201.11536411
• SMILES: O=C1CC2(CCNCC2)c2c1cccc2
• Canonical SMILES: O=C1CC2(c3c1cccc3)CCNCC2
• InChI: InChI=1S/C13H15NO/c15-12-9-13(5-7-14-8-6-13)11-4-2-1-3-10(11)12/h1-4,14H,5-9H2
• InChIKey: KUQPSRVEBGIYRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydrospiro[indene-1,4'-piperidine]-3-one
• IUPAC Traditional name: 2H-spiro[indene-1,4'-piperidine]-3-one
• Synonyms: Spiro[indene-1,4'-piperidin]-3(2H)-one

Database IDs

• CAS Number: 180465-55-8
• MDL Number: MFCD09266213
• PubChem SID: 180674487
• PubChem CID: 18467061

CALCULATED PROPERTIES

• Acid pKa: 16.507603
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.927215
• LogD (pH = 7.4): -1.120579
• Log P: 1.2836779
• Molar Refractivity: 59.9796 cm^3
• Polarizability: 23.345837 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%