(9aR)-1-ethyl-9,9,9a-trimethyl-1H,2H,3H,9H,9aH-imidazolidino[1,2-a]indol-2-one

• ChemBase ID: 184039
• Molecular Formular: C15H20N2O
• Molecular Mass: 244.3321
• Monoisotopic Mass: 244.15756327
• SMILES: [C@]12(N(c3c(C2(C)C)cccc3)CC(=O)N1CC)C
• Canonical SMILES: CCN1C(=O)CN2[C@@]1(C)C(C)(C)c1c2cccc1
• InChI: InChI=1S/C15H20N2O/c1-5-16-13(18)10-17-12-9-7-6-8-11(12)14(2,3)15(16,17)4/h6-9H,5,10H2,1-4H3/t15-/m0/s1
• InChIKey: QDAYJNWCMIZKFJ-HNNXBMFYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (9aR)-1-ethyl-9,9,9a-trimethyl-1H,2H,3H,9H,9aH-imidazolidino[1,2-a]indol-2-one
• IUPAC Traditional name: (9aR)-1-ethyl-9,9,9a-trimethyl-3H-imidazolidino[1,2-a]indol-2-one

Database IDs

• PubChem SID: 164239949
• PubChem CID: 928545

CALCULATED PROPERTIES

• Acid pKa: 18.290613
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7417686
• LogD (pH = 7.4): 2.7417686
• Log P: 2.7417686
• Molar Refractivity: 72.9051 cm^3
• Polarizability: 27.788841 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds