TL;DR: 1-(2-Iodophenylcarbonyl)pyrrolidine (CAS 159824-60-9) is a chemical compound with molecular formula C11H12INO and molecular weight 300.99637 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-iodophenyl)-pyrrolidin-1-ylmethanone
Also Known As: 1-(2-Iodophenylcarbonyl)pyrrolidine, 1-(2-iodobenzoyl)pyrrolidine, (2-iodophenyl)-pyrrolidin-1-ylmethanone, Pyrrolizino(2-iodophenyl)methanone, (2-iodophenyl)-pyrrolidin-1-yl-methanone
| Molecular Formula | C11H12INO |
| Molecular Weight | 300.99637 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 300.99637 Da |
| Heavy Atoms | 14 |
| Complexity | 213.0 |
| SMILES | C1CCN(C1)C(=O)C2=CC=CC=C2I |
| InChIKey | AMQYMYSSSVQOPE-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Iodophenylcarbonyl)pyrrolidine. With a topological polar surface area (TPSA) of 20.3 Ų, 1-(2-Iodophenylcarbonyl)pyrrolidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Iodophenylcarbonyl)pyrrolidine has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(2-Iodophenylcarbonyl)pyrrolidine is 159824-60-9.
The molecular formula of 1-(2-Iodophenylcarbonyl)pyrrolidine is C11H12INO.
The molecular weight of 1-(2-Iodophenylcarbonyl)pyrrolidine is 300.99637 g/mol.
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