1-Cyclopentene-1-carbonitrile
TL;DR: 1-Cyclopentene-1-carbonitrile (CAS 3047-38-9) is a chemical compound with molecular formula C6H7N and molecular weight 93.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclopentene-1-carbonitrile
Also Known As: 1-Cyanocyclopentene, 1-Cyclopentene-1-carbonitrile, 1-Cyclopentenecarbonitrile, cyclopent-1-enecarbonitrile, cyclopentene-1-carbonitrile
| Molecular Formula | C6H7N |
|---|---|
| Molecular Weight | 93.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 93.057846 |
| Heavy Atoms | 7 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 3047-38-9 |
|---|---|
| SMILES | C1CC=C(C1)C#N |
| InChIKey | XBVZRFXCDCYXAX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Cyclopentene-1-carbonitrile (CAS 3047-38-9), with molecular formula C6H7N and molecular weight 93.06 g/mol. IUPAC: cyclopentene-1-carbonitrile.
Chemical Property Profile of 1-Cyclopentene-1-carbonitrile
Property Insights of 1-Cyclopentene-1-carbonitrile
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Cyclopentene-1-carbonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 1-Cyclopentene-1-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Cyclopentene-1-carbonitrile 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
Frequently Asked Questions
What is the CAS number of 1-Cyclopentene-1-carbonitrile?
The CAS number of 1-Cyclopentene-1-carbonitrile is 3047-38-9.
What is the molecular formula of 1-Cyclopentene-1-carbonitrile?
The molecular formula of 1-Cyclopentene-1-carbonitrile is C6H7N.
What is the molecular weight of 1-Cyclopentene-1-carbonitrile?
The molecular weight of 1-Cyclopentene-1-carbonitrile is 93.06 g/mol.
Where can I buy 1-Cyclopentene-1-carbonitrile?
You can request a quote for 1-Cyclopentene-1-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Cyclopentene-1-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyclopentene-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.