1-Cyclohexene-1-acetonitrile
TL;DR: 1-Cyclohexene-1-acetonitrile (CAS 6975-71-9) is a chemical compound with molecular formula C8H11N and molecular weight 121.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(cyclohexen-1-yl)acetonitrile
Also Known As: 1-Cyclohexenylacetonitrile, 1-Cyclohexene-1-acetonitrile, 2-(cyclohex-1-en-1-yl)acetonitrile, Cyclohexenylacetonitrile, cyclohexylnitrate
| Molecular Formula | C8H11N |
|---|---|
| Molecular Weight | 121.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 121.08915 |
| Heavy Atoms | 9 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 6975-71-9 |
|---|---|
| SMILES | C1CCC(=CC1)CC#N |
| InChIKey | OYEXEQFKIPJKJK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Cyclohexene-1-acetonitrile (CAS 6975-71-9), with molecular formula C8H11N and molecular weight 121.09 g/mol. IUPAC: 2-(cyclohexen-1-yl)acetonitrile.
Chemical Property Profile of 1-Cyclohexene-1-acetonitrile
Property Insights of 1-Cyclohexene-1-acetonitrile
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Cyclohexene-1-acetonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 1-Cyclohexene-1-acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Cyclohexene-1-acetonitrile 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-Cyclohexene-1-acetonitrile?
The CAS number of 1-Cyclohexene-1-acetonitrile is 6975-71-9.
What is the molecular formula of 1-Cyclohexene-1-acetonitrile?
The molecular formula of 1-Cyclohexene-1-acetonitrile is C8H11N.
What is the molecular weight of 1-Cyclohexene-1-acetonitrile?
The molecular weight of 1-Cyclohexene-1-acetonitrile is 121.09 g/mol.
Where can I buy 1-Cyclohexene-1-acetonitrile?
You can request a quote for 1-Cyclohexene-1-acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Cyclohexene-1-acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyclohexene-1-acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.