2-cyano-3-(1H-pyrrol-2-yl)prop-2-enoic acid
TL;DR: 2-cyano-3-(1H-pyrrol-2-yl)prop-2-enoic acid (CAS 122520-93-8) is a chemical compound with molecular formula C8H6N2O2 and molecular weight 162.04292 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-cyano-3-(1H-pyrrol-2-yl)prop-2-enoic acid
Also Known As: 2-cyano-3-(1H-pyrrol-2-yl)acrylic acid, 2-cyano-3-(1H-pyrrol-2-yl)prop-2-enoic acid, (2Z)-2-cyano-3-(1H-pyrrol-2-yl)prop-2-enoic acid, (Z)-2-cyano-3-(1H-pyrrol-2-yl)prop-2-enoic acid
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H6N2O2 |
| Molecular Weight | 162.04292 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 76.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 162.04292 Da |
| Heavy Atoms | 12 |
| Complexity | 261.0 |
| SMILES | C1=CNC(=C1)C=C(C#N)C(=O)O |
| InChIKey | RVTZJVIKNDCLAC-UHFFFAOYSA-N |
Chemical Property Profile of 2-cyano-3-(1H-pyrrol-2-yl)prop-2-enoic acid
Property Insights of 2-cyano-3-(1H-pyrrol-2-yl)prop-2-enoic acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-cyano-3-(1H-pyrrol-2-yl)prop-2-enoic acid. The TPSA of 76.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-cyano-3-(1H-pyrrol-2-yl)prop-2-enoic acid. Following Lipinski's Rule of Five, 2-cyano-3-(1H-pyrrol-2-yl)prop-2-enoic acid has 2 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 2-cyano-3-(1H-pyrrol-2-yl)prop-2-enoic acid?
The CAS number of 2-cyano-3-(1H-pyrrol-2-yl)prop-2-enoic acid is 122520-93-8.
What is the molecular formula of 2-cyano-3-(1H-pyrrol-2-yl)prop-2-enoic acid?
The molecular formula of 2-cyano-3-(1H-pyrrol-2-yl)prop-2-enoic acid is C8H6N2O2.
What is the molecular weight of 2-cyano-3-(1H-pyrrol-2-yl)prop-2-enoic acid?
The molecular weight of 2-cyano-3-(1H-pyrrol-2-yl)prop-2-enoic acid is 162.04292 g/mol.
Where can I buy 2-cyano-3-(1H-pyrrol-2-yl)prop-2-enoic acid?
You can request a quote for 2-cyano-3-(1H-pyrrol-2-yl)prop-2-enoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-cyano-3-(1H-pyrrol-2-yl)prop-2-enoic acid?
Yes, CoreyChem provides custom synthesis services for 2-cyano-3-(1H-pyrrol-2-yl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.