![8-Methyl-4-oxo-8-azabicyclo[3.2.1]oct-2-ene-6-carbonitrile structure](/static/products/7760/77603-74-8.webp)
8-Methyl-4-oxo-8-azabicyclo[3.2.1]oct-2-ene-6-carbonitrile
TL;DR: 8-Methyl-4-oxo-8-azabicyclo[3.2.1]oct-2-ene-6-carbonitrile (CAS 77603-74-8) is a chemical compound with molecular formula C9H10N2O and molecular weight 162.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-methyl-4-oxo-8-azabicyclo[3.2.1]oct-2-ene-6-carbonitrile
Also Known As: NCI60_020153, NCI60_020154, 8-Methyl-4-oxo-8-azabicyclo[3.2.1]oct-2-ene-6-carbonitrile, N-Methyl-7-(endo)-cyano[3.2.1]-8-azabicyclooct-3-en-2-one, N-Methyl-7-(exo)-cyano[3.2.1]-8-azabicyclooct-3-en-2-one
| Molecular Formula | C9H10N2O |
|---|---|
| Molecular Weight | 162.08 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.07932 |
| Heavy Atoms | 12 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 77603-74-8 |
|---|---|
| SMILES | CN1C2CC(C1C(=O)C=C2)C#N |
| InChIKey | KBTKKJKGYHXAOU-UHFFFAOYSA-N |
Product Overview
8-Methyl-4-oxo-8-azabicyclo[3.2.1]oct-2-ene-6-carbonitrile (CAS 77603-74-8), with molecular formula C9H10N2O and molecular weight 162.08 g/mol. IUPAC: 8-methyl-4-oxo-8-azabicyclo[3.2.1]oct-2-ene-6-carbonitrile.
Chemical Property Profile of 8-Methyl-4-oxo-8-azabicyclo[3.2.1]oct-2-ene-6-carbonitrile
Property Insights of 8-Methyl-4-oxo-8-azabicyclo[3.2.1]oct-2-ene-6-carbonitrile
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Methyl-4-oxo-8-azabicyclo[3.2.1]oct-2-ene-6-carbonitrile. With a topological polar surface area (TPSA) of 44.1 Ų, 8-Methyl-4-oxo-8-azabicyclo[3.2.1]oct-2-ene-6-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Methyl-4-oxo-8-azabicyclo[3.2.1]oct-2-ene-6-carbonitrile has 0 hydrogen bond donor(s) and 3 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 8-Methyl-4-oxo-8-azabicyclo[3.2.1]oct-2-ene-6-carbonitrile?
The CAS number of 8-Methyl-4-oxo-8-azabicyclo[3.2.1]oct-2-ene-6-carbonitrile is 77603-74-8.
What is the molecular formula of 8-Methyl-4-oxo-8-azabicyclo[3.2.1]oct-2-ene-6-carbonitrile?
The molecular formula of 8-Methyl-4-oxo-8-azabicyclo[3.2.1]oct-2-ene-6-carbonitrile is C9H10N2O.
What is the molecular weight of 8-Methyl-4-oxo-8-azabicyclo[3.2.1]oct-2-ene-6-carbonitrile?
The molecular weight of 8-Methyl-4-oxo-8-azabicyclo[3.2.1]oct-2-ene-6-carbonitrile is 162.08 g/mol.
Where can I buy 8-Methyl-4-oxo-8-azabicyclo[3.2.1]oct-2-ene-6-carbonitrile?
You can request a quote for 8-Methyl-4-oxo-8-azabicyclo[3.2.1]oct-2-ene-6-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Methyl-4-oxo-8-azabicyclo[3.2.1]oct-2-ene-6-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 8-Methyl-4-oxo-8-azabicyclo[3.2.1]oct-2-ene-6-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.