Methyl 2-cyano-3-(1H-pyrrol-2-yl)-2-propenoate
TL;DR: Methyl 2-cyano-3-(1H-pyrrol-2-yl)-2-propenoate (CAS 115324-60-2) is a chemical compound with molecular formula C9H8N2O2 and molecular weight 176.05858 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-cyano-3-(1H-pyrrol-2-yl)prop-2-enoate
Also Known As: methyl alpha-cyano-2-pyrroleacrylate, Methyl 2-cyano-3-(1H-pyrrol-2-yl)-2-propenoate, methyl 2-cyano-3-(1H-pyrrol-2-yl)prop-2-enoate, Methyl 2-cyano-3-(1H-pyrrol-2-yl)acrylate
Technical Specifications
| Molecular Formula | C9H8N2O2 |
| Molecular Weight | 176.05858 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 65.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 176.05858 Da |
| Heavy Atoms | 13 |
| Complexity | 275.0 |
| SMILES | COC(=O)C(=CC1=CC=CN1)C#N |
| InChIKey | WYRPCJJCKOHWCM-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-cyano-3-(1H-pyrrol-2-yl)-2-propenoate
Property Insights of Methyl 2-cyano-3-(1H-pyrrol-2-yl)-2-propenoate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-cyano-3-(1H-pyrrol-2-yl)-2-propenoate. The TPSA of 65.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-cyano-3-(1H-pyrrol-2-yl)-2-propenoate. Following Lipinski's Rule of Five, Methyl 2-cyano-3-(1H-pyrrol-2-yl)-2-propenoate has 1 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 Methyl 2-cyano-3-(1H-pyrrol-2-yl)-2-propenoate?
The CAS number of Methyl 2-cyano-3-(1H-pyrrol-2-yl)-2-propenoate is 115324-60-2.
What is the molecular formula of Methyl 2-cyano-3-(1H-pyrrol-2-yl)-2-propenoate?
The molecular formula of Methyl 2-cyano-3-(1H-pyrrol-2-yl)-2-propenoate is C9H8N2O2.
What is the molecular weight of Methyl 2-cyano-3-(1H-pyrrol-2-yl)-2-propenoate?
The molecular weight of Methyl 2-cyano-3-(1H-pyrrol-2-yl)-2-propenoate is 176.05858 g/mol.
Where can I buy Methyl 2-cyano-3-(1H-pyrrol-2-yl)-2-propenoate?
You can request a quote for Methyl 2-cyano-3-(1H-pyrrol-2-yl)-2-propenoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-cyano-3-(1H-pyrrol-2-yl)-2-propenoate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-cyano-3-(1H-pyrrol-2-yl)-2-propenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.