2-Oxopent-3-enenitrile
TL;DR: 2-Oxopent-3-enenitrile (CAS 38576-57-7) is a chemical compound with molecular formula C5H5NO and molecular weight 95.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enoyl cyanide
Also Known As: Crotonylcyanid, But-2-enoyl cyanide, 2-oxopent-3-enenitrile, 2-Oxo-3-pentenenitrile, (E)-but-2-enoyl cyanide
| Molecular Formula | C5H5NO |
|---|---|
| Molecular Weight | 95.04 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 95.03712 |
| Heavy Atoms | 7 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 38576-57-7 |
|---|---|
| SMILES | C/C=C/C(=O)C#N |
| InChIKey | QUQMVLVTMRZEML-NSCUHMNNSA-N |
Product Overview
2-Oxopent-3-enenitrile (CAS 38576-57-7), with molecular formula C5H5NO and molecular weight 95.04 g/mol. IUPAC: (E)-but-2-enoyl cyanide.
Chemical Property Profile of 2-Oxopent-3-enenitrile
Property Insights of 2-Oxopent-3-enenitrile
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Oxopent-3-enenitrile. With a topological polar surface area (TPSA) of 40.9 Ų, 2-Oxopent-3-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Oxopent-3-enenitrile 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
Frequently Asked Questions
What is the CAS number of 2-Oxopent-3-enenitrile?
The CAS number of 2-Oxopent-3-enenitrile is 38576-57-7.
What is the molecular formula of 2-Oxopent-3-enenitrile?
The molecular formula of 2-Oxopent-3-enenitrile is C5H5NO.
What is the molecular weight of 2-Oxopent-3-enenitrile?
The molecular weight of 2-Oxopent-3-enenitrile is 95.04 g/mol.
Where can I buy 2-Oxopent-3-enenitrile?
You can request a quote for 2-Oxopent-3-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxopent-3-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxopent-3-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.