N-Cyano-1-(4-methoxybenzoyl)-2-pyrrolidinimine
TL;DR: N-Cyano-1-(4-methoxybenzoyl)-2-pyrrolidinimine (CAS 159383-34-3) is a chemical compound with molecular formula C13H13N3O2 and molecular weight 243.10077 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[1-(4-methoxybenzoyl)pyrrolidin-2-ylidene]cyanamide
Also Known As: 1-(p-Methoxybenzoyl)-2-cyaniminopyrrolidine, N-Cyano-1-(4-methoxybenzoyl)-2-pyrrolidinimine, 2-Pyrrolidinimine, N-cyano-1-(4-methoxybenzoyl)-, 1-(4-Methoxybenzoyl)-N-cyanopyrrolidin-2-imine, [1-(4-methoxybenzoyl)pyrrolidin-2-ylidene]cyanamide
Technical Specifications
| Molecular Formula | C13H13N3O2 |
| Molecular Weight | 243.10077 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 65.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.10077 Da |
| Heavy Atoms | 18 |
| Complexity | 388.0 |
| SMILES | COC1=CC=C(C=C1)C(=O)N2CCCC2=NC#N |
| InChIKey | CNQQVQKKJJUKHA-UHFFFAOYSA-N |
Chemical Property Profile of N-Cyano-1-(4-methoxybenzoyl)-2-pyrrolidinimine
Property Insights of N-Cyano-1-(4-methoxybenzoyl)-2-pyrrolidinimine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Cyano-1-(4-methoxybenzoyl)-2-pyrrolidinimine. The TPSA of 65.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Cyano-1-(4-methoxybenzoyl)-2-pyrrolidinimine. Following Lipinski's Rule of Five, N-Cyano-1-(4-methoxybenzoyl)-2-pyrrolidinimine has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-Cyano-1-(4-methoxybenzoyl)-2-pyrrolidinimine?
The CAS number of N-Cyano-1-(4-methoxybenzoyl)-2-pyrrolidinimine is 159383-34-3.
What is the molecular formula of N-Cyano-1-(4-methoxybenzoyl)-2-pyrrolidinimine?
The molecular formula of N-Cyano-1-(4-methoxybenzoyl)-2-pyrrolidinimine is C13H13N3O2.
What is the molecular weight of N-Cyano-1-(4-methoxybenzoyl)-2-pyrrolidinimine?
The molecular weight of N-Cyano-1-(4-methoxybenzoyl)-2-pyrrolidinimine is 243.10077 g/mol.
Where can I buy N-Cyano-1-(4-methoxybenzoyl)-2-pyrrolidinimine?
You can request a quote for N-Cyano-1-(4-methoxybenzoyl)-2-pyrrolidinimine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-Cyano-1-(4-methoxybenzoyl)-2-pyrrolidinimine?
Yes, CoreyChem provides custom synthesis services for N-Cyano-1-(4-methoxybenzoyl)-2-pyrrolidinimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.