Clauson–Kaas pyrrole synthesis using diverse catalysts: a transition from conventional to greener approach
Dileep Kumar Singh and Rajesh Kumar
Beilstein J. Org. Chem. 2023, 19, 928–955.
https://doi.org/10.3762/bjoc.19.71
Chemical Information
Calculated using the Chemistry Development Kit 2.12
| Molecular Formula | C5H8O2 |
| Molecular Weight | 100.12 g/mol |
| Exact Mass | 100.0524 Da |
| InChI |
InChI=1S/C5H8O2/c1-6-5-3-2-4-7-5/h2,4-5H,3H2,1H3
|
| InChIKey |
LLZQUQVYWCUSAS-UHFFFAOYSA-N
|
| SMILES |
COC1CC=CO1
|
| Number of Atoms | 15 |
| Number of H-Bond Acceptors | 2 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 3 |
| XLogP | 0.7 |