Benzonitrile, 2-((3-oxo-1-cyclohexen-1-yl)amino)-
TL;DR: Benzonitrile, 2-((3-oxo-1-cyclohexen-1-yl)amino)- (CAS 114417-11-7) is a chemical compound with molecular formula C13H12N2O and molecular weight 212.09496 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(3-oxocyclohexen-1-yl)amino]benzonitrile
Also Known As: 2-[(3-oxocyclohex-1-en-1-yl)amino]benzonitrile, 2-[(3-oxocyclohexen-1-yl)amino]benzonitrile, 2-((3-Oxocyclohex-1-en-1-yl)amino)benzonitrile, 8015AC, Benzonitrile, 2-[(3-oxo-1-cyclohexen-1-yl)amino]-
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H12N2O |
| Molecular Weight | 212.09496 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.09496 Da |
| Heavy Atoms | 16 |
| Complexity | 350.0 |
| SMILES | C1CC(=CC(=O)C1)NC2=CC=CC=C2C#N |
| InChIKey | HCMIHVZZMOSHIE-UHFFFAOYSA-N |
Chemical Property Profile of Benzonitrile, 2-((3-oxo-1-cyclohexen-1-yl)amino)-
Property Insights of Benzonitrile, 2-((3-oxo-1-cyclohexen-1-yl)amino)-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzonitrile, 2-((3-oxo-1-cyclohexen-1-yl)amino)-. With a topological polar surface area (TPSA) of 52.9 Ų, Benzonitrile, 2-((3-oxo-1-cyclohexen-1-yl)amino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzonitrile, 2-((3-oxo-1-cyclohexen-1-yl)amino)- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzonitrile, 2-((3-oxo-1-cyclohexen-1-yl)amino)-?
The CAS number of Benzonitrile, 2-((3-oxo-1-cyclohexen-1-yl)amino)- is 114417-11-7.
What is the molecular formula of Benzonitrile, 2-((3-oxo-1-cyclohexen-1-yl)amino)-?
The molecular formula of Benzonitrile, 2-((3-oxo-1-cyclohexen-1-yl)amino)- is C13H12N2O.
What is the molecular weight of Benzonitrile, 2-((3-oxo-1-cyclohexen-1-yl)amino)-?
The molecular weight of Benzonitrile, 2-((3-oxo-1-cyclohexen-1-yl)amino)- is 212.09496 g/mol.
Where can I buy Benzonitrile, 2-((3-oxo-1-cyclohexen-1-yl)amino)-?
You can request a quote for Benzonitrile, 2-((3-oxo-1-cyclohexen-1-yl)amino)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzonitrile, 2-((3-oxo-1-cyclohexen-1-yl)amino)-?
Yes, CoreyChem provides custom synthesis services for Benzonitrile, 2-((3-oxo-1-cyclohexen-1-yl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.