1-ethyl-3-(piperidin-2-ylidene)-2,3-dihydro-1H-indol-2-one

• ChemBase ID: 200659
• Molecular Formular: C15H18N2O
• Molecular Mass: 242.31622
• Monoisotopic Mass: 242.14191321
• SMILES: C\1(=C\2/NCCCC2)/C(=O)N(c2c1cccc2)CC
• Canonical SMILES: CCN1C(=O)/C(=C\2/CCCCN2)/c2c1cccc2
• InChI: InChI=1S/C15H18N2O/c1-2-17-13-9-4-3-7-11(13)14(15(17)18)12-8-5-6-10-16-12/h3-4,7,9,16H,2,5-6,8,10H2,1H3/b14-12-
• InChIKey: RQXPVBSEKVFCEX-OWBHPGMISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-3-(piperidin-2-ylidene)-2,3-dihydro-1H-indol-2-one
• IUPAC Traditional name: 1-ethyl-3-(piperidin-2-ylidene)indol-2-one

Database IDs

• PubChem SID: 164256569
• PubChem CID: 16399685

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.648784
• LogD (pH = 7.4): 1.6537856
• Log P: 1.6538497
• Molar Refractivity: 73.4496 cm^3
• Polarizability: 27.601912 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds