2-(5-Cyano-1-dimethylamino-3-methyl-pyrrolidin-2-ylidene)-malononitrile
TL;DR: 2-(5-Cyano-1-dimethylamino-3-methyl-pyrrolidin-2-ylidene)-malononitrile (CAS 131447-31-9) is a chemical compound with molecular formula C11H13N5 and molecular weight 215.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-cyano-1-(dimethylamino)-3-methylpyrrolidin-2-ylidene]propanedinitrile
Also Known As: A1756/0074584, 2-(5-Cyano-1-dimethylamino-3-methyl-pyrrolidin-2-ylidene)-malononitrile, 2-[5-cyano-1-(dimethylamino)-3-methylpyrrolidin-2-ylidene]propanedinitrile, [5-cyano-1-(dimethylamino)-3-methylpyrrolidin-2-ylidene]malononitrile, [5-cyano-1-(dimethylamino)-3-methylpyrrolidin-2-ylidene]propanedinitrile
| Molecular Formula | C11H13N5 |
|---|---|
| Molecular Weight | 215.12 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 215.1171 |
| Heavy Atoms | 16 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 131447-31-9 |
|---|---|
| SMILES | CC1CC(N(C1=C(C#N)C#N)N(C)C)C#N |
| InChIKey | WTOBRZNHAKGURA-UHFFFAOYSA-N |
Product Overview
2-(5-Cyano-1-dimethylamino-3-methyl-pyrrolidin-2-ylidene)-malononitrile (CAS 131447-31-9), with molecular formula C11H13N5 and molecular weight 215.12 g/mol. IUPAC: 2-[5-cyano-1-(dimethylamino)-3-methylpyrrolidin-2-ylidene]propanedinitrile.
Chemical Property Profile of 2-(5-Cyano-1-dimethylamino-3-methyl-pyrrolidin-2-ylidene)-malononitrile
Property Insights of 2-(5-Cyano-1-dimethylamino-3-methyl-pyrrolidin-2-ylidene)-malononitrile
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(5-Cyano-1-dimethylamino-3-methyl-pyrrolidin-2-ylidene)-malononitrile. The TPSA of 77.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-Cyano-1-dimethylamino-3-methyl-pyrrolidin-2-ylidene)-malononitrile. Following Lipinski's Rule of Five, 2-(5-Cyano-1-dimethylamino-3-methyl-pyrrolidin-2-ylidene)-malononitrile has 0 hydrogen bond donor(s) and 5 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 2-(5-Cyano-1-dimethylamino-3-methyl-pyrrolidin-2-ylidene)-malononitrile?
The CAS number of 2-(5-Cyano-1-dimethylamino-3-methyl-pyrrolidin-2-ylidene)-malononitrile is 131447-31-9.
What is the molecular formula of 2-(5-Cyano-1-dimethylamino-3-methyl-pyrrolidin-2-ylidene)-malononitrile?
The molecular formula of 2-(5-Cyano-1-dimethylamino-3-methyl-pyrrolidin-2-ylidene)-malononitrile is C11H13N5.
What is the molecular weight of 2-(5-Cyano-1-dimethylamino-3-methyl-pyrrolidin-2-ylidene)-malononitrile?
The molecular weight of 2-(5-Cyano-1-dimethylamino-3-methyl-pyrrolidin-2-ylidene)-malononitrile is 215.12 g/mol.
Where can I buy 2-(5-Cyano-1-dimethylamino-3-methyl-pyrrolidin-2-ylidene)-malononitrile?
You can request a quote for 2-(5-Cyano-1-dimethylamino-3-methyl-pyrrolidin-2-ylidene)-malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-Cyano-1-dimethylamino-3-methyl-pyrrolidin-2-ylidene)-malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-Cyano-1-dimethylamino-3-methyl-pyrrolidin-2-ylidene)-malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.