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

• ChemBase ID: 183835
• Molecular Formular: C16H20N2O
• Molecular Mass: 256.3428
• Monoisotopic Mass: 256.15756327
• SMILES: [C@]12(N(c3c(C2(C)C)cccc3)CC(=O)N1CC=C)C
• Canonical SMILES: C=CCN1C(=O)CN2[C@@]1(C)C(C)(C)c1c2cccc1
• InChI: InChI=1S/C16H20N2O/c1-5-10-17-14(19)11-18-13-9-7-6-8-12(13)15(2,3)16(17,18)4/h5-9H,1,10-11H2,2-4H3/t16-/m0/s1
• InChIKey: KUVPXKIWMASROL-INIZCTEOSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164239745
• PubChem CID: 6924095

CALCULATED PROPERTIES

• Acid pKa: 18.246195
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1162105
• LogD (pH = 7.4): 3.1162105
• Log P: 3.1162105
• Molar Refractivity: 77.3192 cm^3
• Polarizability: 29.393456 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds