4-(Pyrrolidine-1-carbonyl)benzonitrile
TL;DR: 4-(Pyrrolidine-1-carbonyl)benzonitrile (CAS 150057-96-8) is a chemical compound with molecular formula C12H12N2O and molecular weight 200.09496 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(pyrrolidine-1-carbonyl)benzonitrile
Also Known As: 4-(pyrrolidine-1-carbonyl)benzonitrile, 1-(p-Cyanobenzoyl)pyrrolidine, 1-(4-Cyanobenzoyl)pyrrolidine, 4-(1-pyrrolidinylcarbonyl)benzonitrile, 4-(pyrrolidine-1-carbonyl)-benzonitrile
Technical Specifications
| Molecular Formula | C12H12N2O |
| Molecular Weight | 200.09496 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 200.09496 Da |
| Heavy Atoms | 15 |
| Complexity | 277.0 |
| SMILES | C1CCN(C1)C(=O)C2=CC=C(C=C2)C#N |
| InChIKey | UUXKCIUFTTWRON-UHFFFAOYSA-N |
Chemical Property Profile of 4-(Pyrrolidine-1-carbonyl)benzonitrile
Property Insights of 4-(Pyrrolidine-1-carbonyl)benzonitrile
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Pyrrolidine-1-carbonyl)benzonitrile. With a topological polar surface area (TPSA) of 44.1 Ų, 4-(Pyrrolidine-1-carbonyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Pyrrolidine-1-carbonyl)benzonitrile has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(Pyrrolidine-1-carbonyl)benzonitrile?
The CAS number of 4-(Pyrrolidine-1-carbonyl)benzonitrile is 150057-96-8.
What is the molecular formula of 4-(Pyrrolidine-1-carbonyl)benzonitrile?
The molecular formula of 4-(Pyrrolidine-1-carbonyl)benzonitrile is C12H12N2O.
What is the molecular weight of 4-(Pyrrolidine-1-carbonyl)benzonitrile?
The molecular weight of 4-(Pyrrolidine-1-carbonyl)benzonitrile is 200.09496 g/mol.
Where can I buy 4-(Pyrrolidine-1-carbonyl)benzonitrile?
You can request a quote for 4-(Pyrrolidine-1-carbonyl)benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(Pyrrolidine-1-carbonyl)benzonitrile?
Yes, CoreyChem provides custom synthesis services for 4-(Pyrrolidine-1-carbonyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.