7,9,9,9a-tetramethyl-1H,2H,3H,9H,9aH-imidazolidino[1,2-a]indol-2-one

• ChemBase ID: 209703
• Molecular Formular: C14H18N2O
• Molecular Mass: 230.30552
• Monoisotopic Mass: 230.14191321
• SMILES: C12(N(c3c(C1(C)C)cc(cc3)C)CC(=O)N2)C
• Canonical SMILES: O=C1CN2C(N1)(C)C(c1c2ccc(c1)C)(C)C
• InChI: InChI=1S/C14H18N2O/c1-9-5-6-11-10(7-9)13(2,3)14(4)15-12(17)8-16(11)14/h5-7H,8H2,1-4H3,(H,15,17)
• InChIKey: RRCUVEQOVCHJJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7,9,9,9a-tetramethyl-1H,2H,3H,9H,9aH-imidazolidino[1,2-a]indol-2-one
• IUPAC Traditional name: 7,9,9,9a-tetramethyl-1H,3H-imidazolidino[1,2-a]indol-2-one

Database IDs

• PubChem SID: 164265613
• PubChem CID: 3402453

CALCULATED PROPERTIES

• Acid pKa: 11.550955
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6747055
• LogD (pH = 7.4): 2.6746786
• Log P: 2.6747057
• Molar Refractivity: 68.301 cm^3
• Polarizability: 25.867252 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds