TL;DR: 1-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethyl-1H-pyrrole (CAS 108051-03-2) is a chemical compound with molecular formula C13H22N2 and molecular weight 206.1783 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethylpyrrole
Also Known As: 1-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethyl-1H-pyrrole, 1-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethylpyrrole, 1-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethyl-pyrrole
| Molecular Formula | C13H22N2 |
| Molecular Weight | 206.1783 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 8.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.1783 Da |
| Heavy Atoms | 15 |
| Complexity | 195.0 |
| SMILES | CCN1CCCC1CN2C(=CC=C2C)C |
| InChIKey | DGLGETREWQMTCM-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethyl-1H-pyrrole. With a topological polar surface area (TPSA) of 8.2 Ų, 1-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethyl-1H-pyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethyl-1H-pyrrole 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-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethyl-1H-pyrrole is 108051-03-2.
The molecular formula of 1-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethyl-1H-pyrrole is C13H22N2.
The molecular weight of 1-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethyl-1H-pyrrole is 206.1783 g/mol.
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