2-Oxocyclopentane-1-carbonitrile
TL;DR: 2-Oxocyclopentane-1-carbonitrile (CAS 2941-29-9) is a chemical compound with molecular formula C6H7NO and molecular weight 109.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxocyclopentane-1-carbonitrile
Also Known As: Cyclopentanone-2-carbonitrile, 2-Oxocyclopentanecarbonitrile, 2-oxocyclopentane-1-carbonitrile, 2-Cyanocyclopentanone, Cyclopentanecarbonitrile, 2-oxo-
| Molecular Formula | C6H7NO |
|---|---|
| Molecular Weight | 109.05 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 109.052765 |
| Heavy Atoms | 8 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 2941-29-9 |
|---|---|
| SMILES | C1CC(C(=O)C1)C#N |
| InChIKey | IPMQSLPLJDKUPI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Oxocyclopentane-1-carbonitrile (CAS 2941-29-9), with molecular formula C6H7NO and molecular weight 109.05 g/mol. IUPAC: 2-oxocyclopentane-1-carbonitrile.
Chemical Property Profile of 2-Oxocyclopentane-1-carbonitrile
Property Insights of 2-Oxocyclopentane-1-carbonitrile
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Oxocyclopentane-1-carbonitrile. With a topological polar surface area (TPSA) of 40.9 Ų, 2-Oxocyclopentane-1-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Oxocyclopentane-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
Frequently Asked Questions
What is the CAS number of 2-Oxocyclopentane-1-carbonitrile?
The CAS number of 2-Oxocyclopentane-1-carbonitrile is 2941-29-9.
What is the molecular formula of 2-Oxocyclopentane-1-carbonitrile?
The molecular formula of 2-Oxocyclopentane-1-carbonitrile is C6H7NO.
What is the molecular weight of 2-Oxocyclopentane-1-carbonitrile?
The molecular weight of 2-Oxocyclopentane-1-carbonitrile is 109.05 g/mol.
Where can I buy 2-Oxocyclopentane-1-carbonitrile?
You can request a quote for 2-Oxocyclopentane-1-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxocyclopentane-1-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxocyclopentane-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.