2-(1-Benzylpyrrolidin-2-ylidene)-2-cyanoacetamide
TL;DR: 2-(1-Benzylpyrrolidin-2-ylidene)-2-cyanoacetamide (CAS 66751-29-9) is a chemical compound with molecular formula C14H15N3O and molecular weight 241.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-benzylpyrrolidin-2-ylidene)-2-cyanoacetamide
Also Known As: 1,3,6,8-Tetraoxacyclodecan, 2-(1-benzylpyrrolidin-2-ylidene)-2-cyanoacetamide, 2-(1-benzyl-2-pyrrolidinylidene)-2-cyanoacetamide, 2-[1-BENZYL-PYRROLIDINYLIDENE]-2-CYANO-ACETAMIDE
| Molecular Formula | C14H15N3O |
|---|---|
| Molecular Weight | 241.12 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 70.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 241.1215 |
| Heavy Atoms | 18 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 66751-29-9 |
|---|---|
| SMILES | C1CC(=C(C#N)C(=O)N)N(C1)CC2=CC=CC=C2 |
| InChIKey | CVBHOOQHZZTAAE-UHFFFAOYSA-N |
Product Overview
2-(1-Benzylpyrrolidin-2-ylidene)-2-cyanoacetamide (CAS 66751-29-9), with molecular formula C14H15N3O and molecular weight 241.12 g/mol. IUPAC: 2-(1-benzylpyrrolidin-2-ylidene)-2-cyanoacetamide.
Chemical Property Profile of 2-(1-Benzylpyrrolidin-2-ylidene)-2-cyanoacetamide
Property Insights of 2-(1-Benzylpyrrolidin-2-ylidene)-2-cyanoacetamide
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Benzylpyrrolidin-2-ylidene)-2-cyanoacetamide. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-Benzylpyrrolidin-2-ylidene)-2-cyanoacetamide. Following Lipinski's Rule of Five, 2-(1-Benzylpyrrolidin-2-ylidene)-2-cyanoacetamide 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
Frequently Asked Questions
What is the CAS number of 2-(1-Benzylpyrrolidin-2-ylidene)-2-cyanoacetamide?
The CAS number of 2-(1-Benzylpyrrolidin-2-ylidene)-2-cyanoacetamide is 66751-29-9.
What is the molecular formula of 2-(1-Benzylpyrrolidin-2-ylidene)-2-cyanoacetamide?
The molecular formula of 2-(1-Benzylpyrrolidin-2-ylidene)-2-cyanoacetamide is C14H15N3O.
What is the molecular weight of 2-(1-Benzylpyrrolidin-2-ylidene)-2-cyanoacetamide?
The molecular weight of 2-(1-Benzylpyrrolidin-2-ylidene)-2-cyanoacetamide is 241.12 g/mol.
Where can I buy 2-(1-Benzylpyrrolidin-2-ylidene)-2-cyanoacetamide?
You can request a quote for 2-(1-Benzylpyrrolidin-2-ylidene)-2-cyanoacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Benzylpyrrolidin-2-ylidene)-2-cyanoacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Benzylpyrrolidin-2-ylidene)-2-cyanoacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.