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 | C10H15NO2 |
| Molecular Weight | 181.23 g/mol |
| Exact Mass | 181.1103 Da |
| InChI |
InChI=1S/C10H15NO2/c1-8(2)7-9(10(12)13)11-5-3-4-6-11/h3-6,8-9H,7H2,1-2H3,(H,12,13)
|
| InChIKey |
CCIUIWFXXDCCOJ-UHFFFAOYSA-N
|
| SMILES |
CC(C)CC(C(=O)O)N1C=CC=C1
|
| Number of Atoms | 28 |
| Number of H-Bond Acceptors | 3 |
| Number of H-Bond Donors | 1 |
| Atoms in the Largest π-System | 5 |
| XLogP | 2.5 |