1-Benzyl-4,5-dioxopyrrolidine-3-carbonitrile
TL;DR: 1-Benzyl-4,5-dioxopyrrolidine-3-carbonitrile (CAS 107667-02-7) is a chemical compound with molecular formula C12H10N2O2 and molecular weight 214.07423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-benzyl-4,5-dioxopyrrolidine-3-carbonitrile
Also Known As: 1-benzyl-4,5-dioxopyrrolidine-3-carbonitrile, 4,5-dioxo-1-benzylazolidine-3-carbonitrile, 1-Benzyl-4,5-dioxo-3-pyrrolidinecarbonitrile, 1-benzyl-4,5-dioxo-pyrrolidine-3-carbonitrile, 3-Pyrrolidinecarbonitrile,4,5-dioxo-1-(phenylmethyl)-
Technical Specifications
| Molecular Formula | C12H10N2O2 |
| Molecular Weight | 214.07423 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 61.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.07423 Da |
| Heavy Atoms | 16 |
| Complexity | 349.0 |
| SMILES | C1C(C(=O)C(=O)N1CC2=CC=CC=C2)C#N |
| InChIKey | DMHPNNXXUGTDAL-UHFFFAOYSA-N |
Chemical Property Profile of 1-Benzyl-4,5-dioxopyrrolidine-3-carbonitrile
Property Insights of 1-Benzyl-4,5-dioxopyrrolidine-3-carbonitrile
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-4,5-dioxopyrrolidine-3-carbonitrile. The TPSA of 61.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Benzyl-4,5-dioxopyrrolidine-3-carbonitrile. Following Lipinski's Rule of Five, 1-Benzyl-4,5-dioxopyrrolidine-3-carbonitrile 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
What is the CAS number of 1-Benzyl-4,5-dioxopyrrolidine-3-carbonitrile?
The CAS number of 1-Benzyl-4,5-dioxopyrrolidine-3-carbonitrile is 107667-02-7.
What is the molecular formula of 1-Benzyl-4,5-dioxopyrrolidine-3-carbonitrile?
The molecular formula of 1-Benzyl-4,5-dioxopyrrolidine-3-carbonitrile is C12H10N2O2.
What is the molecular weight of 1-Benzyl-4,5-dioxopyrrolidine-3-carbonitrile?
The molecular weight of 1-Benzyl-4,5-dioxopyrrolidine-3-carbonitrile is 214.07423 g/mol.
Where can I buy 1-Benzyl-4,5-dioxopyrrolidine-3-carbonitrile?
You can request a quote for 1-Benzyl-4,5-dioxopyrrolidine-3-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Benzyl-4,5-dioxopyrrolidine-3-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 1-Benzyl-4,5-dioxopyrrolidine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.