(2-Oxocyclopentyl)acetonitrile
TL;DR: (2-Oxocyclopentyl)acetonitrile (CAS 51004-14-9) is a chemical compound with molecular formula C7H9NO and molecular weight 123.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-oxocyclopentyl)acetonitrile
Also Known As: (2-oxocyclopentyl)acetonitrile, 2-(2-oxocyclopentyl)acetonitrile, 2-(Cyanomethyl)cyclopentanone, 2-OXOCYCLOPENTANEACETONITRILE, Cyclopentaneacetonitrile, 2-oxo-
| Molecular Formula | C7H9NO |
|---|---|
| Molecular Weight | 123.07 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 123.06841 |
| Heavy Atoms | 9 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 51004-14-9 |
|---|---|
| SMILES | C1CC(C(=O)C1)CC#N |
| InChIKey | NTBRBVDWJQGNBR-UHFFFAOYSA-N |
Product Overview
(2-Oxocyclopentyl)acetonitrile (CAS 51004-14-9), with molecular formula C7H9NO and molecular weight 123.07 g/mol. IUPAC: 2-(2-oxocyclopentyl)acetonitrile.
Chemical Property Profile of (2-Oxocyclopentyl)acetonitrile
Property Insights of (2-Oxocyclopentyl)acetonitrile
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Oxocyclopentyl)acetonitrile. With a topological polar surface area (TPSA) of 40.9 Ų, (2-Oxocyclopentyl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Oxocyclopentyl)acetonitrile 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-Oxocyclopentyl)acetonitrile?
The CAS number of (2-Oxocyclopentyl)acetonitrile is 51004-14-9.
What is the molecular formula of (2-Oxocyclopentyl)acetonitrile?
The molecular formula of (2-Oxocyclopentyl)acetonitrile is C7H9NO.
What is the molecular weight of (2-Oxocyclopentyl)acetonitrile?
The molecular weight of (2-Oxocyclopentyl)acetonitrile is 123.07 g/mol.
Where can I buy (2-Oxocyclopentyl)acetonitrile?
You can request a quote for (2-Oxocyclopentyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Oxocyclopentyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (2-Oxocyclopentyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.