9a-[(E)-2-(furan-2-yl)ethenyl]-7,9,9-trimethyl-1H,2H,3H,9H,9aH-imidazolidino[1,2-a]indol-2-one

• ChemBase ID: 208839
• Molecular Formular: C19H20N2O2
• Molecular Mass: 308.3743
• Monoisotopic Mass: 308.15247789
• SMILES: C12(N(c3c(C1(C)C)cc(cc3)C)CC(=O)N2)/C=C/c1occc1
• Canonical SMILES: O=C1CN2C(N1)(/C=C/c1ccco1)C(c1c2ccc(c1)C)(C)C
• InChI: InChI=1S/C19H20N2O2/c1-13-6-7-16-15(11-13)18(2,3)19(20-17(22)12-21(16)19)9-8-14-5-4-10-23-14/h4-11H,12H2,1-3H3,(H,20,22)/b9-8+
• InChIKey: KXIYVJOXUUXPPS-CMDGGOBGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9a-[(E)-2-(furan-2-yl)ethenyl]-7,9,9-trimethyl-1H,2H,3H,9H,9aH-imidazolidino[1,2-a]indol-2-one
• IUPAC Traditional name: 9a-[(E)-2-(furan-2-yl)ethenyl]-7,9,9-trimethyl-1H,3H-imidazolidino[1,2-a]indol-2-one

Database IDs

• PubChem SID: 164264749
• PubChem CID: 6216660

CALCULATED PROPERTIES

• Acid pKa: 10.710943
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.055583
• LogD (pH = 7.4): 4.0553975
• Log P: 4.0555854
• Molar Refractivity: 90.7089 cm^3
• Polarizability: 34.002155 Å^3
• Polar Surface Area: 45.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds