AC1NR7QO
(1S,2S,3aR)-1-(2,2-dimethylpropanoyl)-2-[4-(trifluoromethyl)phenyl]-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
Also Known As: A1285/0058623|(1S,2S,3aR)-1-(2,2-dimethylpropanoyl)-2-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile|(1S,2S,3aR)-1-(2,2-dimethylpropanoyl)-2-[4-(trifluoromethyl)phenyl]-10,3a-dihy dropyrrolidino[1,2-a]quinoline-3,3-dicarbonitrile|(1S,2S,3aR)-1-(2,2-dimethylpropanoyl)-2-[4-(trifluoromethyl)phenyl]-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile|(1S,2S,3aR)-1-pivaloyl-2-(4-(trifluoromethyl)phenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile|1-(2,2-DIMETHYLPROPANOYL)-2-[4-(TRIFLUOROMETHYL)PHENYL]-1H,2H,3H,3AH-PYRROLO[1,2-A]QUINOLINE-3,3-DICARBONITRILE
| Molecular Formula | C26H22F3N3O |
|---|---|
| Molecular Weight | 449.1715 g/mol |
| LogP | 5.72196 |
| Topological Polar Surface Area | 67.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 449.1715 |
| Monoisotopic Mass | 449.1715 |
| Heavy Atoms | 33 |
| Complexity | 1195.5591 |
Chemical Identifiers
| CAS Number | 294635-01-1 |
|---|---|
| SMILES | CC(C)(C)C(=O)[C@@H]1[C@H](C([C@@H]2N1C3=CC=CC=C3C=C2)(C#N)C#N)C4=CC=C(C=C4)C(F)(F)F |
Product Overview
AC1NR7QO (CAS 294635-01-1), with molecular formula C26H22F3N3O and molecular weight 449.1715 g/mol. IUPAC: (1S,2S,3aR)-1-(2,2-dimethylpropanoyl)-2-[4-(trifluoromethyl)phenyl]-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile.