![4-[2-Cyano-2-(pyrrolidine-1-carbonyl)eth-1-en-1-yl]benzonitrile structure](/static/products/4529/452951-87-0.webp)
4-[2-Cyano-2-(pyrrolidine-1-carbonyl)eth-1-en-1-yl]benzonitrile
TL;DR: 4-[2-Cyano-2-(pyrrolidine-1-carbonyl)eth-1-en-1-yl]benzonitrile (CAS 452951-87-0) is a chemical compound with molecular formula C15H13N3O and molecular weight 251.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(Z)-2-cyano-3-oxo-3-pyrrolidin-1-ylprop-1-enyl]benzonitrile
Also Known As: 4-[(Z)-2-cyano-3-oxo-3-pyrrolidin-1-ylprop-1-enyl]benzonitrile, 4-[2-cyano-2-(pyrrolidine-1-carbonyl)eth-1-en-1-yl]benzonitrile
| Molecular Formula | C15H13N3O |
|---|---|
| Molecular Weight | 251.11 g/mol |
| LogP | 2.08766 |
| Topological Polar Surface Area | 67.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.10587 |
| Heavy Atoms | 19 |
| Complexity | 581.30206 |
Chemical Identifiers
| CAS Number | 452951-87-0 |
|---|---|
| SMILES | C1CCN(C1)C(=O)/C(=C\C2=CC=C(C=C2)C#N)/C#N |
Product Overview
4-[2-Cyano-2-(pyrrolidine-1-carbonyl)eth-1-en-1-yl]benzonitrile (CAS 452951-87-0), with molecular formula C15H13N3O and molecular weight 251.11 g/mol. IUPAC: 4-[(Z)-2-cyano-3-oxo-3-pyrrolidin-1-ylprop-1-enyl]benzonitrile.
Chemical Property Profile of 4-[2-Cyano-2-(pyrrolidine-1-carbonyl)eth-1-en-1-yl]benzonitrile
Property Insights of 4-[2-Cyano-2-(pyrrolidine-1-carbonyl)eth-1-en-1-yl]benzonitrile
The XLogP value of 2.08766 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[2-Cyano-2-(pyrrolidine-1-carbonyl)eth-1-en-1-yl]benzonitrile. The TPSA of 67.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[2-Cyano-2-(pyrrolidine-1-carbonyl)eth-1-en-1-yl]benzonitrile. Following Lipinski's Rule of Five, 4-[2-Cyano-2-(pyrrolidine-1-carbonyl)eth-1-en-1-yl]benzonitrile has 0 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 4-[2-Cyano-2-(pyrrolidine-1-carbonyl)eth-1-en-1-yl]benzonitrile?
The CAS number of 4-[2-Cyano-2-(pyrrolidine-1-carbonyl)eth-1-en-1-yl]benzonitrile is 452951-87-0.
What is the molecular formula of 4-[2-Cyano-2-(pyrrolidine-1-carbonyl)eth-1-en-1-yl]benzonitrile?
The molecular formula of 4-[2-Cyano-2-(pyrrolidine-1-carbonyl)eth-1-en-1-yl]benzonitrile is C15H13N3O.
What is the molecular weight of 4-[2-Cyano-2-(pyrrolidine-1-carbonyl)eth-1-en-1-yl]benzonitrile?
The molecular weight of 4-[2-Cyano-2-(pyrrolidine-1-carbonyl)eth-1-en-1-yl]benzonitrile is 251.11 g/mol.
Where can I buy 4-[2-Cyano-2-(pyrrolidine-1-carbonyl)eth-1-en-1-yl]benzonitrile?
You can request a quote for 4-[2-Cyano-2-(pyrrolidine-1-carbonyl)eth-1-en-1-yl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[2-Cyano-2-(pyrrolidine-1-carbonyl)eth-1-en-1-yl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-Cyano-2-(pyrrolidine-1-carbonyl)eth-1-en-1-yl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.