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

• ChemBase ID: 309181
• Molecular Formular: C13H16N2O
• Molecular Mass: 216.27894
• Monoisotopic Mass: 216.12626314
• SMILES: C12(C(=O)N(c3c1cccc3)C)CNCCC2
• Canonical SMILES: O=C1N(C)c2c(C31CCCNC3)cccc2
• InChI: InChI=1S/C13H16N2O/c1-15-11-6-3-2-5-10(11)13(12(15)16)7-4-8-14-9-13/h2-3,5-6,14H,4,7-9H2,1H3
• InChIKey: WFVNSFIYTRKAIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD19982725

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0684032
• LogD (pH = 7.4): -0.76736987
• Log P: 1.0510801
• Molar Refractivity: 62.8525 cm^3
• Polarizability: 24.479946 Å^3
• Polar Surface Area: 32.34 Å^2