TL;DR: 1H-Pyrrole, 3-propyl- (CAS 1551-09-3) is a chemical compound with molecular formula CCCC1=CNC=C1 and molecular weight 109.08915 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-propyl-1H-pyrrole
Also Known As: 1H-Pyrrole, 3-propyl-, 3-propyl-pyrrole, 3-propyl-1H-pyrrole
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | CCCC1=CNC=C1 |
| Molecular Weight | 109.08915 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 15.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 109.08915 Da |
| Heavy Atoms | 8 |
| Complexity | 61.0 |
| SMILES | CCCC1=CNC=C1 |
| InChIKey | FAOPZUAEZGKQNC-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrole, 3-propyl-. With a topological polar surface area (TPSA) of 15.8 Ų, 1H-Pyrrole, 3-propyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrrole, 3-propyl- has 1 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1H-Pyrrole, 3-propyl- is 1551-09-3.
The molecular formula of 1H-Pyrrole, 3-propyl- is CCCC1=CNC=C1.
The molecular weight of 1H-Pyrrole, 3-propyl- is 109.08915 g/mol.
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