3-Oxo-3-phenyl-2-(2-pyrrolidinylidene)propanenitrile
TL;DR: 3-Oxo-3-phenyl-2-(2-pyrrolidinylidene)propanenitrile (CAS 1164519-53-2) is a chemical compound with molecular formula C13H12N2O and molecular weight 212.09496 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2E)-3-oxo-3-phenyl-2-pyrrolidin-2-ylidenepropanenitrile
Also Known As: BIM-0013132.P001, 3-oxo-3-phenyl-2-(2-pyrrolidinylidene)propanenitrile, AH-262/34228044, (2E)-3-oxo-3-phenyl-2-pyrrolidin-2-ylidenepropanenitrile, 3-Oxo-3-phenyl-2-pyrrolidin-2-ylidene-propionitrile
Technical Specifications
| Molecular Formula | C13H12N2O |
| Molecular Weight | 212.09496 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.09496 Da |
| Heavy Atoms | 16 |
| Complexity | 355.0 |
| SMILES | C1C/C(=C(/C#N)\C(=O)C2=CC=CC=C2)/NC1 |
| InChIKey | MNDUHSMHAUGMNN-VAWYXSNFSA-N |
Chemical Property Profile of 3-Oxo-3-phenyl-2-(2-pyrrolidinylidene)propanenitrile
Property Insights of 3-Oxo-3-phenyl-2-(2-pyrrolidinylidene)propanenitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Oxo-3-phenyl-2-(2-pyrrolidinylidene)propanenitrile. With a topological polar surface area (TPSA) of 52.9 Ų, 3-Oxo-3-phenyl-2-(2-pyrrolidinylidene)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Oxo-3-phenyl-2-(2-pyrrolidinylidene)propanenitrile 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 3-Oxo-3-phenyl-2-(2-pyrrolidinylidene)propanenitrile?
The CAS number of 3-Oxo-3-phenyl-2-(2-pyrrolidinylidene)propanenitrile is 1164519-53-2.
What is the molecular formula of 3-Oxo-3-phenyl-2-(2-pyrrolidinylidene)propanenitrile?
The molecular formula of 3-Oxo-3-phenyl-2-(2-pyrrolidinylidene)propanenitrile is C13H12N2O.
What is the molecular weight of 3-Oxo-3-phenyl-2-(2-pyrrolidinylidene)propanenitrile?
The molecular weight of 3-Oxo-3-phenyl-2-(2-pyrrolidinylidene)propanenitrile is 212.09496 g/mol.
Where can I buy 3-Oxo-3-phenyl-2-(2-pyrrolidinylidene)propanenitrile?
You can request a quote for 3-Oxo-3-phenyl-2-(2-pyrrolidinylidene)propanenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Oxo-3-phenyl-2-(2-pyrrolidinylidene)propanenitrile?
Yes, CoreyChem provides custom synthesis services for 3-Oxo-3-phenyl-2-(2-pyrrolidinylidene)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.