Malononitrile, (1-pyrrolidinylmethylene)-
TL;DR: Malononitrile, (1-pyrrolidinylmethylene)- (CAS 73541-93-2) 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-(pyrrolidin-1-ylmethylidene)propanedinitrile
Also Known As: Pyrrolidine-1-methylenemalononitrile, MALONONITRILE, (1-PYRROLIDINYLMETHYLENE)-, 2-(pyrrolidin-1-ylmethylidene)propanedinitrile, 1-Pyrrolidinylmethylenemalononitrile, 2-(1-Pyrrolidinylmethylene)malononitrile
| Molecular Formula | C8H9N3 |
|---|---|
| Molecular Weight | 147.08 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 147.07965 |
| Heavy Atoms | 11 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 73541-93-2 |
|---|---|
| SMILES | C1CCN(C1)C=C(C#N)C#N |
| InChIKey | PEKZRDSDXUPZQB-UHFFFAOYSA-N |
Product Overview
Malononitrile, (1-pyrrolidinylmethylene)- (CAS 73541-93-2), with molecular formula C8H9N3 and molecular weight 147.08 g/mol. IUPAC: 2-(pyrrolidin-1-ylmethylidene)propanedinitrile.
Chemical Property Profile of Malononitrile, (1-pyrrolidinylmethylene)-
Property Insights of Malononitrile, (1-pyrrolidinylmethylene)-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Malononitrile, (1-pyrrolidinylmethylene)-. With a topological polar surface area (TPSA) of 50.8 Ų, Malononitrile, (1-pyrrolidinylmethylene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Malononitrile, (1-pyrrolidinylmethylene)- 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 Malononitrile, (1-pyrrolidinylmethylene)-?
The CAS number of Malononitrile, (1-pyrrolidinylmethylene)- is 73541-93-2.
What is the molecular formula of Malononitrile, (1-pyrrolidinylmethylene)-?
The molecular formula of Malononitrile, (1-pyrrolidinylmethylene)- is C8H9N3.
What is the molecular weight of Malononitrile, (1-pyrrolidinylmethylene)-?
The molecular weight of Malononitrile, (1-pyrrolidinylmethylene)- is 147.08 g/mol.
Where can I buy Malononitrile, (1-pyrrolidinylmethylene)-?
You can request a quote for Malononitrile, (1-pyrrolidinylmethylene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Malononitrile, (1-pyrrolidinylmethylene)-?
Yes, KEHONG BIO provides custom synthesis services for Malononitrile, (1-pyrrolidinylmethylene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.