Methyl alpha-cyano-3,4-dimethyl-2-pyrroleacrylate
TL;DR: Methyl alpha-cyano-3,4-dimethyl-2-pyrroleacrylate (CAS 117112-74-0) is a chemical compound with molecular formula C11H12N2O2 and molecular weight 204.08987 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (E)-2-cyano-3-(3,4-dimethyl-1H-pyrrol-2-yl)prop-2-enoate
Also Known As: methyl alpha-cyano-3,4-dimethyl-2-pyrroleacrylate, Methyl 2-cyano-3-(3,4-dimethyl-1H-pyrrol-2-yl)acrylate, 2-(2-cyano-2-(methoxycarbonyl)vinyl)-3,4-dimethyl-1H-pyrrole, 661-305-8
Technical Specifications
| Molecular Formula | C11H12N2O2 |
| Molecular Weight | 204.08987 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 65.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.08987 Da |
| Heavy Atoms | 15 |
| Complexity | 327.0 |
| SMILES | CC1=CNC(=C1C)/C=C(\C#N)/C(=O)OC |
| InChIKey | LQJYZFQAQTXZEZ-RUDMXATFSA-N |
Chemical Property Profile of Methyl alpha-cyano-3,4-dimethyl-2-pyrroleacrylate
Property Insights of Methyl alpha-cyano-3,4-dimethyl-2-pyrroleacrylate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl alpha-cyano-3,4-dimethyl-2-pyrroleacrylate. The TPSA of 65.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl alpha-cyano-3,4-dimethyl-2-pyrroleacrylate. Following Lipinski's Rule of Five, Methyl alpha-cyano-3,4-dimethyl-2-pyrroleacrylate 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 alpha-cyano-3,4-dimethyl-2-pyrroleacrylate?
The CAS number of Methyl alpha-cyano-3,4-dimethyl-2-pyrroleacrylate is 117112-74-0.
What is the molecular formula of Methyl alpha-cyano-3,4-dimethyl-2-pyrroleacrylate?
The molecular formula of Methyl alpha-cyano-3,4-dimethyl-2-pyrroleacrylate is C11H12N2O2.
What is the molecular weight of Methyl alpha-cyano-3,4-dimethyl-2-pyrroleacrylate?
The molecular weight of Methyl alpha-cyano-3,4-dimethyl-2-pyrroleacrylate is 204.08987 g/mol.
Where can I buy Methyl alpha-cyano-3,4-dimethyl-2-pyrroleacrylate?
You can request a quote for Methyl alpha-cyano-3,4-dimethyl-2-pyrroleacrylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl alpha-cyano-3,4-dimethyl-2-pyrroleacrylate?
Yes, CoreyChem provides custom synthesis services for Methyl alpha-cyano-3,4-dimethyl-2-pyrroleacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.