Pyrrolidinylidene acetonitrile
TL;DR: Pyrrolidinylidene acetonitrile (CAS 13939-73-6) is a chemical compound with molecular formula C6H8N2 and molecular weight 108.06875 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-pyrrolidin-2-ylideneacetonitrile
Also Known As: pyrrolidinylidene acetonitrile, 2-(pyrrolidin-(2E/2Z)-ylidene)acetonitrile
Technical Specifications
| Molecular Formula | C6H8N2 |
| Molecular Weight | 108.06875 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 35.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 108.06875 Da |
| Heavy Atoms | 8 |
| Complexity | 149.0 |
| SMILES | C1CC(=CC#N)NC1 |
| InChIKey | PARGAVROCAZXKF-UHFFFAOYSA-N |
Chemical Property Profile of Pyrrolidinylidene acetonitrile
Property Insights of Pyrrolidinylidene acetonitrile
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrolidinylidene acetonitrile. With a topological polar surface area (TPSA) of 35.8 Ų, Pyrrolidinylidene acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolidinylidene acetonitrile has 1 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 Pyrrolidinylidene acetonitrile?
The CAS number of Pyrrolidinylidene acetonitrile is 13939-73-6.
What is the molecular formula of Pyrrolidinylidene acetonitrile?
The molecular formula of Pyrrolidinylidene acetonitrile is C6H8N2.
What is the molecular weight of Pyrrolidinylidene acetonitrile?
The molecular weight of Pyrrolidinylidene acetonitrile is 108.06875 g/mol.
Where can I buy Pyrrolidinylidene acetonitrile?
You can request a quote for Pyrrolidinylidene acetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pyrrolidinylidene acetonitrile?
Yes, CoreyChem provides custom synthesis services for Pyrrolidinylidene acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.