3-Aminocyclohex-2-en-1-one
TL;DR: 3-Aminocyclohex-2-en-1-one (CAS 5220-49-5) is a chemical compound with molecular formula C6H9NO and molecular weight 111.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-aminocyclohex-2-en-1-one
Also Known As: 3-Amino-2-cyclohexen-1-one, 3-aminocyclohex-2-enone, 3-Aminocyclohex-2-en-1-one, 3-Aminocyclohexenone, 3-aminocyclohex-enone
| Molecular Formula | C6H9NO |
|---|---|
| Molecular Weight | 111.07 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 111.06841 |
| Heavy Atoms | 8 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 5220-49-5 |
|---|---|
| SMILES | C1CC(=CC(=O)C1)N |
| InChIKey | ZZMRPOAHZITKBV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Aminocyclohex-2-en-1-one (CAS 5220-49-5), with molecular formula C6H9NO and molecular weight 111.07 g/mol. IUPAC: 3-aminocyclohex-2-en-1-one.
Chemical Property Profile of 3-Aminocyclohex-2-en-1-one
Property Insights of 3-Aminocyclohex-2-en-1-one
The XLogP value of -0.1 indicates that 3-Aminocyclohex-2-en-1-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 43.1 Ų, 3-Aminocyclohex-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Aminocyclohex-2-en-1-one has 1 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 3-Aminocyclohex-2-en-1-one?
The CAS number of 3-Aminocyclohex-2-en-1-one is 5220-49-5.
What is the molecular formula of 3-Aminocyclohex-2-en-1-one?
The molecular formula of 3-Aminocyclohex-2-en-1-one is C6H9NO.
What is the molecular weight of 3-Aminocyclohex-2-en-1-one?
The molecular weight of 3-Aminocyclohex-2-en-1-one is 111.07 g/mol.
Where can I buy 3-Aminocyclohex-2-en-1-one?
You can request a quote for 3-Aminocyclohex-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Aminocyclohex-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Aminocyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.