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

• ChemBase ID: 309248
• Molecular Formular: C13H16N2O
• Molecular Mass: 216.27894
• Monoisotopic Mass: 216.12626314
• SMILES: C1(=O)N(c2c(C31CCNCC3)cccc2)C
• Canonical SMILES: O=C1N(C)c2c(C31CCNCC3)cccc2
• InChI: InChI=1S/C13H16N2O/c1-15-11-5-3-2-4-10(11)13(12(15)16)6-8-14-9-7-13/h2-5,14H,6-9H2,1H3
• InChIKey: VZIOGCSCMHCRQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-1,2-dihydrospiro[indole-3,4'-piperidine]-2-one
• IUPAC Traditional name: 1-methylspiro[indole-3,4'-piperidine]-2-one
• Synonyms: 1-methylspiro[indole-3,4'-piperidin]-2(1H)-one

Database IDs

• CAS Number: 67677-81-0
• MDL Number: MFCD19982727

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3101358
• LogD (pH = 7.4): -1.4448924
• Log P: 0.8951726
• Molar Refractivity: 63.0065 cm^3
• Polarizability: 24.480112 Å^3
• Polar Surface Area: 32.34 Å^2