2-(1H-pyrrol-2-ylmethylene)malononitrile
TL;DR: 2-(1H-pyrrol-2-ylmethylene)malononitrile (CAS 15031-03-5) is a chemical compound with molecular formula C8H5N3 and molecular weight 143.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-pyrrol-2-ylmethylidene)propanedinitrile
Also Known As: 2-(1H-pyrrol-2-ylmethylene)malononitrile, 2-(1H-pyrrol-2-ylmethylidene)propanedinitrile, 2-(2,2-dicyanovinyl)pyrrole, 2-[(1H-pyrrol-2-yl)methylidene]propanedinitrile, 2-(1H-pyrrol-2-ylmethylidene)malononitrile
| Molecular Formula | C8H5N3 |
|---|---|
| Molecular Weight | 143.05 g/mol |
| LogP | 1.44526 |
| Topological Polar Surface Area | 63.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 143.04834 |
| Heavy Atoms | 11 |
| Complexity | 316.40433 |
Chemical Identifiers
| CAS Number | 15031-03-5 |
|---|---|
| SMILES | C1=CNC(=C1)C=C(C#N)C#N |
Product Overview
2-(1H-pyrrol-2-ylmethylene)malononitrile (CAS 15031-03-5), with molecular formula C8H5N3 and molecular weight 143.05 g/mol. IUPAC: 2-(1H-pyrrol-2-ylmethylidene)propanedinitrile.
Chemical Property Profile of 2-(1H-pyrrol-2-ylmethylene)malononitrile
Property Insights of 2-(1H-pyrrol-2-ylmethylene)malononitrile
The XLogP value of 1.44526 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1H-pyrrol-2-ylmethylene)malononitrile. The TPSA of 63.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1H-pyrrol-2-ylmethylene)malononitrile. Following Lipinski's Rule of Five, 2-(1H-pyrrol-2-ylmethylene)malononitrile has 1 hydrogen bond donor(s) and 2 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-(1H-pyrrol-2-ylmethylene)malononitrile?
The CAS number of 2-(1H-pyrrol-2-ylmethylene)malononitrile is 15031-03-5.
What is the molecular formula of 2-(1H-pyrrol-2-ylmethylene)malononitrile?
The molecular formula of 2-(1H-pyrrol-2-ylmethylene)malononitrile is C8H5N3.
What is the molecular weight of 2-(1H-pyrrol-2-ylmethylene)malononitrile?
The molecular weight of 2-(1H-pyrrol-2-ylmethylene)malononitrile is 143.05 g/mol.
Where can I buy 2-(1H-pyrrol-2-ylmethylene)malononitrile?
You can request a quote for 2-(1H-pyrrol-2-ylmethylene)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-pyrrol-2-ylmethylene)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-pyrrol-2-ylmethylene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.