TL;DR: 2-(aziridin-1-ylmethyl)-1H-pyrrole (CAS 132752-06-8) is a chemical compound with molecular formula C7H10N2 and molecular weight 122.0844 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(aziridin-1-ylmethyl)-1H-pyrrole
Also Known As: 2-[N-Aziridyl]methylpyrrole, 2-(aziridin-1-ylmethyl)-1H-pyrrole, 1H-Pyrrole,2-(1-aziridinylmethyl)-(9CI), 2-(1-Aziridinylmethyl)-1H-pyrrole, 2-(1-Aziridinylmethyl)-1H-pyrrole #
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C7H10N2 |
| Molecular Weight | 122.0844 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 18.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 122.0844 Da |
| Heavy Atoms | 9 |
| Complexity | 99.0 |
| SMILES | C1CN1CC2=CC=CN2 |
| InChIKey | ALXAYLULTDFKBR-UHFFFAOYSA-N |
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(aziridin-1-ylmethyl)-1H-pyrrole. With a topological polar surface area (TPSA) of 18.8 Ų, 2-(aziridin-1-ylmethyl)-1H-pyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(aziridin-1-ylmethyl)-1H-pyrrole has 1 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 2-(aziridin-1-ylmethyl)-1H-pyrrole is 132752-06-8.
The molecular formula of 2-(aziridin-1-ylmethyl)-1H-pyrrole is C7H10N2.
The molecular weight of 2-(aziridin-1-ylmethyl)-1H-pyrrole is 122.0844 g/mol.
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