2-((2e)-2-(Nitromethylidene)pyrrolidin-1-yl)acetonitrile
TL;DR: 2-((2e)-2-(Nitromethylidene)pyrrolidin-1-yl)acetonitrile (CAS 1164504-23-7) is a chemical compound with molecular formula C7H9N3O2 and molecular weight 167.06947 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2E)-2-(nitromethylidene)pyrrolidin-1-yl]acetonitrile
Also Known As: 1-Cyanomethyl-2-nitromethylenepyrrolidine, 2-(Nitromethylene)-1-pyrrolideneacetonitrile, 1-Pyrrolideneacetonitrile, 2-(nitromethylene)-, [2-(nitromethylene)-1-pyrrolidinyl]acetonitrile, 2-[(2E)-2-(nitromethylidene)pyrrolidin-1-yl]acetonitrile
Technical Specifications
| Molecular Formula | C7H9N3O2 |
| Molecular Weight | 167.06947 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 72.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 167.06947 Da |
| Heavy Atoms | 12 |
| Complexity | 258.0 |
| SMILES | C1C/C(=C\[N+](=O)[O-])/N(C1)CC#N |
| InChIKey | UUBCVVUIZRGQQU-VOTSOKGWSA-N |
Chemical Property Profile of 2-((2e)-2-(Nitromethylidene)pyrrolidin-1-yl)acetonitrile
Property Insights of 2-((2e)-2-(Nitromethylidene)pyrrolidin-1-yl)acetonitrile
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((2e)-2-(Nitromethylidene)pyrrolidin-1-yl)acetonitrile. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2e)-2-(Nitromethylidene)pyrrolidin-1-yl)acetonitrile. Following Lipinski's Rule of Five, 2-((2e)-2-(Nitromethylidene)pyrrolidin-1-yl)acetonitrile 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 2-((2e)-2-(Nitromethylidene)pyrrolidin-1-yl)acetonitrile?
The CAS number of 2-((2e)-2-(Nitromethylidene)pyrrolidin-1-yl)acetonitrile is 1164504-23-7.
What is the molecular formula of 2-((2e)-2-(Nitromethylidene)pyrrolidin-1-yl)acetonitrile?
The molecular formula of 2-((2e)-2-(Nitromethylidene)pyrrolidin-1-yl)acetonitrile is C7H9N3O2.
What is the molecular weight of 2-((2e)-2-(Nitromethylidene)pyrrolidin-1-yl)acetonitrile?
The molecular weight of 2-((2e)-2-(Nitromethylidene)pyrrolidin-1-yl)acetonitrile is 167.06947 g/mol.
Where can I buy 2-((2e)-2-(Nitromethylidene)pyrrolidin-1-yl)acetonitrile?
You can request a quote for 2-((2e)-2-(Nitromethylidene)pyrrolidin-1-yl)acetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-((2e)-2-(Nitromethylidene)pyrrolidin-1-yl)acetonitrile?
Yes, CoreyChem provides custom synthesis services for 2-((2e)-2-(Nitromethylidene)pyrrolidin-1-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.