Methyl 2-cyano-2-(pyrrolidin-2-ylidene)acetate
TL;DR: Methyl 2-cyano-2-(pyrrolidin-2-ylidene)acetate (CAS 83132-84-7) 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 (2E)-2-cyano-2-pyrrolidin-2-ylideneacetate
Also Known As: methyl 2-cyano-2-(pyrrolidin-2-ylidene)acetate, Methyl (2E)-cyano(2-pyrrolidinylidene)ethanoate, methyl (2E)-2-cyano-2-pyrrolidin-2-ylideneacetate, Methyl (2E)-cyano(2-pyrrolidinylidene)ethanoate #, Acetic acid, cyano-2-pyrrolidinylidene-, methyl ester, (Z)-
| Molecular Formula | C8H10N2O2 |
|---|---|
| Molecular Weight | 166.07 g/mol |
| LogP | 0.32048 |
| 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 | 254.72165 |
Chemical Identifiers
| CAS Number | 83132-84-7 |
|---|---|
| SMILES | COC(=O)/C(=C/1\CCCN1)/C#N |
Product Overview
Methyl 2-cyano-2-(pyrrolidin-2-ylidene)acetate (CAS 83132-84-7), with molecular formula C8H10N2O2 and molecular weight 166.07 g/mol. IUPAC: methyl (2E)-2-cyano-2-pyrrolidin-2-ylideneacetate.
Chemical Property Profile of Methyl 2-cyano-2-(pyrrolidin-2-ylidene)acetate
Property Insights of Methyl 2-cyano-2-(pyrrolidin-2-ylidene)acetate
The XLogP value of 0.32048 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-cyano-2-(pyrrolidin-2-ylidene)acetate. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-cyano-2-(pyrrolidin-2-ylidene)acetate. Following Lipinski's Rule of Five, Methyl 2-cyano-2-(pyrrolidin-2-ylidene)acetate 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 2-cyano-2-(pyrrolidin-2-ylidene)acetate?
The CAS number of Methyl 2-cyano-2-(pyrrolidin-2-ylidene)acetate is 83132-84-7.
What is the molecular formula of Methyl 2-cyano-2-(pyrrolidin-2-ylidene)acetate?
The molecular formula of Methyl 2-cyano-2-(pyrrolidin-2-ylidene)acetate is C8H10N2O2.
What is the molecular weight of Methyl 2-cyano-2-(pyrrolidin-2-ylidene)acetate?
The molecular weight of Methyl 2-cyano-2-(pyrrolidin-2-ylidene)acetate is 166.07 g/mol.
Where can I buy Methyl 2-cyano-2-(pyrrolidin-2-ylidene)acetate?
You can request a quote for Methyl 2-cyano-2-(pyrrolidin-2-ylidene)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-cyano-2-(pyrrolidin-2-ylidene)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-cyano-2-(pyrrolidin-2-ylidene)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.