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
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