Pyrrolidine-1-carbonitrile
TL;DR: Pyrrolidine-1-carbonitrile (CAS 1530-88-7) is a chemical compound with molecular formula C5H8N2 and molecular weight 96.06875 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
pyrrolidine-1-carbonitrile
Also Known As: Pyrrolidine-1-carbonitrile, 1-Cyanopyrrolidine, N-Cyanopyrrolidine, 1-Pyrrolidinecarbonitrile, Cyano-Pyrrolidine
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H8N2 |
| Molecular Weight | 96.06875 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 96.06875 Da |
| Heavy Atoms | 7 |
| Complexity | 93.0 |
| SMILES | C1CCN(C1)C#N |
| InChIKey | QJRYYOWARFCJQZ-UHFFFAOYSA-N |
Chemical Property Profile of Pyrrolidine-1-carbonitrile
Property Insights of Pyrrolidine-1-carbonitrile
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrolidine-1-carbonitrile. With a topological polar surface area (TPSA) of 27.0 Ų, Pyrrolidine-1-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolidine-1-carbonitrile 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 Pyrrolidine-1-carbonitrile?
The CAS number of Pyrrolidine-1-carbonitrile is 1530-88-7.
What is the molecular formula of Pyrrolidine-1-carbonitrile?
The molecular formula of Pyrrolidine-1-carbonitrile is C5H8N2.
What is the molecular weight of Pyrrolidine-1-carbonitrile?
The molecular weight of Pyrrolidine-1-carbonitrile is 96.06875 g/mol.
Where can I buy Pyrrolidine-1-carbonitrile?
You can request a quote for Pyrrolidine-1-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pyrrolidine-1-carbonitrile?
Yes, CoreyChem provides custom synthesis services for Pyrrolidine-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.