2-(1-methyltetrahydro-1H-pyrrol-2-yliden)malononitrile
TL;DR: 2-(1-methyltetrahydro-1H-pyrrol-2-yliden)malononitrile (CAS 53583-60-1) is a chemical compound with molecular formula C8H9N3 and molecular weight 147.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-methylpyrrolidin-2-ylidene)propanedinitrile
Also Known As: 2-(1-methylpyrrolidin-2-ylidene)propanedinitrile, 2-(1-Methylpyrrolidin-2-ylidene)malononitrile, 2-(1-methyltetrahydro-1H-pyrrol-2-yliden)malononitrile, (1-Methyl-2-pyrrolidinylidene)malononitrile, (1-methylpyrrolidin-2-ylidene)malononitrile
| Molecular Formula | C8H9N3 |
|---|---|
| Molecular Weight | 147.08 g/mol |
| LogP | 1.01326 |
| Topological Polar Surface Area | 50.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 147.07965 |
| Heavy Atoms | 11 |
| Complexity | 248.0422 |
Chemical Identifiers
| CAS Number | 53583-60-1 |
|---|---|
| SMILES | CN1CCCC1=C(C#N)C#N |
Product Overview
2-(1-methyltetrahydro-1H-pyrrol-2-yliden)malononitrile (CAS 53583-60-1), with molecular formula C8H9N3 and molecular weight 147.08 g/mol. IUPAC: 2-(1-methylpyrrolidin-2-ylidene)propanedinitrile.
Chemical Property Profile of 2-(1-methyltetrahydro-1H-pyrrol-2-yliden)malononitrile
Property Insights of 2-(1-methyltetrahydro-1H-pyrrol-2-yliden)malononitrile
The XLogP value of 1.01326 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-methyltetrahydro-1H-pyrrol-2-yliden)malononitrile. With a topological polar surface area (TPSA) of 50.82 Ų, 2-(1-methyltetrahydro-1H-pyrrol-2-yliden)malononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-methyltetrahydro-1H-pyrrol-2-yliden)malononitrile has 0 hydrogen bond donor(s) and 3 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-(1-methyltetrahydro-1H-pyrrol-2-yliden)malononitrile?
The CAS number of 2-(1-methyltetrahydro-1H-pyrrol-2-yliden)malononitrile is 53583-60-1.
What is the molecular formula of 2-(1-methyltetrahydro-1H-pyrrol-2-yliden)malononitrile?
The molecular formula of 2-(1-methyltetrahydro-1H-pyrrol-2-yliden)malononitrile is C8H9N3.
What is the molecular weight of 2-(1-methyltetrahydro-1H-pyrrol-2-yliden)malononitrile?
The molecular weight of 2-(1-methyltetrahydro-1H-pyrrol-2-yliden)malononitrile is 147.08 g/mol.
Where can I buy 2-(1-methyltetrahydro-1H-pyrrol-2-yliden)malononitrile?
You can request a quote for 2-(1-methyltetrahydro-1H-pyrrol-2-yliden)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-methyltetrahydro-1H-pyrrol-2-yliden)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-methyltetrahydro-1H-pyrrol-2-yliden)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.