3-Oxopentanenitrile
TL;DR: 3-Oxopentanenitrile (CAS 1184296-04-5) is a chemical compound with molecular formula C5H7NO and molecular weight 97.052765 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-oxopentanenitrile
Also Known As: 3-oxopentanenitrile, Propionylacetonitrile, cyanobutanone, 3- Oxopentanenitrile, 3-Oxo-Pentanenitrile
Technical Specifications
| Molecular Formula | C5H7NO |
| Molecular Weight | 97.052765 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 97.052765 Da |
| Heavy Atoms | 7 |
| Complexity | 108.0 |
| SMILES | CCC(=O)CC#N |
| InChIKey | KOYWUYIBEXFRFH-UHFFFAOYSA-N |
Chemical Property Profile of 3-Oxopentanenitrile
Property Insights of 3-Oxopentanenitrile
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Oxopentanenitrile. With a topological polar surface area (TPSA) of 40.9 Ų, 3-Oxopentanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Oxopentanenitrile 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 3-Oxopentanenitrile?
The CAS number of 3-Oxopentanenitrile is 1184296-04-5.
What is the molecular formula of 3-Oxopentanenitrile?
The molecular formula of 3-Oxopentanenitrile is C5H7NO.
What is the molecular weight of 3-Oxopentanenitrile?
The molecular weight of 3-Oxopentanenitrile is 97.052765 g/mol.
Where can I buy 3-Oxopentanenitrile?
You can request a quote for 3-Oxopentanenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Oxopentanenitrile?
Yes, CoreyChem provides custom synthesis services for 3-Oxopentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.