1-Nitro-2-acetylpyrrole
TL;DR: 1-Nitro-2-acetylpyrrole (CAS 158366-45-1) is a chemical compound with molecular formula C6H6N2O3 and molecular weight 154.03784 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1-nitropyrrol-2-yl)ethanone
Also Known As: 1-Nitro-2-acetylpyrrole, 1-Nap, 1-(1-nitropyrrol-2-yl)ethanone, 2-acetyl-1-nitro-pyrrole, 1-(1-Nitro-1H-pyrrol-2-yl)ethanone
Technical Specifications
| Molecular Formula | C6H6N2O3 |
| Molecular Weight | 154.03784 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 67.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 154.03784 Da |
| Heavy Atoms | 11 |
| Complexity | 187.0 |
| SMILES | CC(=O)C1=CC=CN1[N+](=O)[O-] |
| InChIKey | IAWKNFOCXFSSLA-UHFFFAOYSA-N |
Chemical Property Profile of 1-Nitro-2-acetylpyrrole
Property Insights of 1-Nitro-2-acetylpyrrole
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Nitro-2-acetylpyrrole. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Nitro-2-acetylpyrrole. Following Lipinski's Rule of Five, 1-Nitro-2-acetylpyrrole has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Nitro-2-acetylpyrrole?
The CAS number of 1-Nitro-2-acetylpyrrole is 158366-45-1.
What is the molecular formula of 1-Nitro-2-acetylpyrrole?
The molecular formula of 1-Nitro-2-acetylpyrrole is C6H6N2O3.
What is the molecular weight of 1-Nitro-2-acetylpyrrole?
The molecular weight of 1-Nitro-2-acetylpyrrole is 154.03784 g/mol.
Where can I buy 1-Nitro-2-acetylpyrrole?
You can request a quote for 1-Nitro-2-acetylpyrrole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Nitro-2-acetylpyrrole?
Yes, CoreyChem provides custom synthesis services for 1-Nitro-2-acetylpyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.