methyl (5E)-5-(cyanomethylidene)pyrrolidine-2-carboxylate
TL;DR: methyl (5E)-5-(cyanomethylidene)pyrrolidine-2-carboxylate (CAS 65571-73-5) is a chemical compound with molecular formula C8H10N2O2 and molecular weight 166.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (5E)-5-(cyanomethylidene)pyrrolidine-2-carboxylate
Also Known As: l-Proline, 5-(cyanomethylene)-, methyl ester, (E)-, methyl (5E)-5-(cyanomethylidene)pyrrolidine-2-carboxylate, Proline, 5-(cyanomethylene)-, methyl ester, (E)- (9CI)
| Molecular Formula | C8H10N2O2 |
|---|---|
| Molecular Weight | 166.07 g/mol |
| LogP | 0.31888 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 166.07423 |
| Heavy Atoms | 12 |
| Complexity | 252.2737 |
Chemical Identifiers
| CAS Number | 65571-73-5 |
|---|---|
| SMILES | COC(=O)C1CC/C(=C\C#N)/N1 |
Product Overview
methyl (5E)-5-(cyanomethylidene)pyrrolidine-2-carboxylate (CAS 65571-73-5), with molecular formula C8H10N2O2 and molecular weight 166.07 g/mol. IUPAC: methyl (5E)-5-(cyanomethylidene)pyrrolidine-2-carboxylate.
Chemical Property Profile of methyl (5E)-5-(cyanomethylidene)pyrrolidine-2-carboxylate
Property Insights of methyl (5E)-5-(cyanomethylidene)pyrrolidine-2-carboxylate
The XLogP value of 0.31888 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (5E)-5-(cyanomethylidene)pyrrolidine-2-carboxylate. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (5E)-5-(cyanomethylidene)pyrrolidine-2-carboxylate. Following Lipinski's Rule of Five, methyl (5E)-5-(cyanomethylidene)pyrrolidine-2-carboxylate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl (5E)-5-(cyanomethylidene)pyrrolidine-2-carboxylate?
The CAS number of methyl (5E)-5-(cyanomethylidene)pyrrolidine-2-carboxylate is 65571-73-5.
What is the molecular formula of methyl (5E)-5-(cyanomethylidene)pyrrolidine-2-carboxylate?
The molecular formula of methyl (5E)-5-(cyanomethylidene)pyrrolidine-2-carboxylate is C8H10N2O2.
What is the molecular weight of methyl (5E)-5-(cyanomethylidene)pyrrolidine-2-carboxylate?
The molecular weight of methyl (5E)-5-(cyanomethylidene)pyrrolidine-2-carboxylate is 166.07 g/mol.
Where can I buy methyl (5E)-5-(cyanomethylidene)pyrrolidine-2-carboxylate?
You can request a quote for methyl (5E)-5-(cyanomethylidene)pyrrolidine-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (5E)-5-(cyanomethylidene)pyrrolidine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl (5E)-5-(cyanomethylidene)pyrrolidine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.