Pent-2-enenitrile
TL;DR: Pent-2-enenitrile (CAS 13284-42-9) is a chemical compound with molecular formula C5H7N and molecular weight 81.057846 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
pent-2-enenitrile
Also Known As: 2-PENTENENITRILE, Pent-2-enenitrile, Pentenenitrile, (2E)-2-Pentenenitrile, (E)-Pent-2-enenitrile
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H7N |
| Molecular Weight | 81.057846 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 81.057846 Da |
| Heavy Atoms | 6 |
| Complexity | 83.0 |
| SMILES | CCC=CC#N |
| InChIKey | ISBHMJZRKAFTGE-UHFFFAOYSA-N |
Chemical Property Profile of Pent-2-enenitrile
Property Insights of Pent-2-enenitrile
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pent-2-enenitrile. With a topological polar surface area (TPSA) of 23.8 Ų, Pent-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pent-2-enenitrile has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Pent-2-enenitrile?
The CAS number of Pent-2-enenitrile is 13284-42-9.
What is the molecular formula of Pent-2-enenitrile?
The molecular formula of Pent-2-enenitrile is C5H7N.
What is the molecular weight of Pent-2-enenitrile?
The molecular weight of Pent-2-enenitrile is 81.057846 g/mol.
Where can I buy Pent-2-enenitrile?
You can request a quote for Pent-2-enenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pent-2-enenitrile?
Yes, CoreyChem provides custom synthesis services for Pent-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.