Malononitrile, (1-methylpyrrol-2-ylmethylene)-
TL;DR: Malononitrile, (1-methylpyrrol-2-ylmethylene)- (CAS 79691-33-1) is a chemical compound with molecular formula C9H7N3 and molecular weight 157.064 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(1-methylpyrrol-2-yl)methylidene]propanedinitrile
Also Known As: MALONONITRILE, (1-METHYLPYRROL-2-YLMETHYLENE)-, 1-Methyl-2-pyrrolemethylenemalononitrile, 2-[(1-methyl-1H-pyrrol-2-yl)methylene]malononitrile, (1-Methylpyrrol-2-ylmethylene)malononitrile, 2-[(1-methylpyrrol-2-yl)methylidene]propanedinitrile
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H7N3 |
| Molecular Weight | 157.064 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 52.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 157.064 Da |
| Heavy Atoms | 12 |
| Complexity | 267.0 |
| SMILES | CN1C=CC=C1C=C(C#N)C#N |
| InChIKey | WFEIGTSOOZKIFL-UHFFFAOYSA-N |
Chemical Property Profile of Malononitrile, (1-methylpyrrol-2-ylmethylene)-
Property Insights of Malononitrile, (1-methylpyrrol-2-ylmethylene)-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Malononitrile, (1-methylpyrrol-2-ylmethylene)-. With a topological polar surface area (TPSA) of 52.5 Ų, Malononitrile, (1-methylpyrrol-2-ylmethylene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Malononitrile, (1-methylpyrrol-2-ylmethylene)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Malononitrile, (1-methylpyrrol-2-ylmethylene)-?
The CAS number of Malononitrile, (1-methylpyrrol-2-ylmethylene)- is 79691-33-1.
What is the molecular formula of Malononitrile, (1-methylpyrrol-2-ylmethylene)-?
The molecular formula of Malononitrile, (1-methylpyrrol-2-ylmethylene)- is C9H7N3.
What is the molecular weight of Malononitrile, (1-methylpyrrol-2-ylmethylene)-?
The molecular weight of Malononitrile, (1-methylpyrrol-2-ylmethylene)- is 157.064 g/mol.
Where can I buy Malononitrile, (1-methylpyrrol-2-ylmethylene)-?
You can request a quote for Malononitrile, (1-methylpyrrol-2-ylmethylene)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Malononitrile, (1-methylpyrrol-2-ylmethylene)-?
Yes, CoreyChem provides custom synthesis services for Malononitrile, (1-methylpyrrol-2-ylmethylene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.