3-(1-Methyl-1H-pyrrol-2-yl)-3-oxopropanenitrile
TL;DR: 3-(1-Methyl-1H-pyrrol-2-yl)-3-oxopropanenitrile (CAS 77640-03-0) is a chemical compound with molecular formula C8H8N2O and molecular weight 148.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-methylpyrrol-2-yl)-3-oxopropanenitrile
Also Known As: 3-(1-methyl-1H-pyrrol-2-yl)-3-oxopropanenitrile, 2-Cyanoacetyl-N-methylpyrrole, 3-(1-methylpyrrol-2-yl)-3-oxopropanenitrile, methylpyrrolyloxopropanenitrile, 2-cyanoacetyl-1-methylpyrrole
| Molecular Formula | C8H8N2O |
|---|---|
| Molecular Weight | 148.06 g/mol |
| LogP | 1.12148 |
| Topological Polar Surface Area | 45.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 148.06366 |
| Heavy Atoms | 11 |
| Complexity | 306.13712 |
Chemical Identifiers
| CAS Number | 77640-03-0 |
|---|---|
| SMILES | CN1C=CC=C1C(=O)CC#N |
Product Overview
3-(1-Methyl-1H-pyrrol-2-yl)-3-oxopropanenitrile (CAS 77640-03-0), with molecular formula C8H8N2O and molecular weight 148.06 g/mol. IUPAC: 3-(1-methylpyrrol-2-yl)-3-oxopropanenitrile.
Chemical Property Profile of 3-(1-Methyl-1H-pyrrol-2-yl)-3-oxopropanenitrile
Property Insights of 3-(1-Methyl-1H-pyrrol-2-yl)-3-oxopropanenitrile
The XLogP value of 1.12148 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-Methyl-1H-pyrrol-2-yl)-3-oxopropanenitrile. With a topological polar surface area (TPSA) of 45.79 Ų, 3-(1-Methyl-1H-pyrrol-2-yl)-3-oxopropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-Methyl-1H-pyrrol-2-yl)-3-oxopropanenitrile 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
Frequently Asked Questions
What is the CAS number of 3-(1-Methyl-1H-pyrrol-2-yl)-3-oxopropanenitrile?
The CAS number of 3-(1-Methyl-1H-pyrrol-2-yl)-3-oxopropanenitrile is 77640-03-0.
What is the molecular formula of 3-(1-Methyl-1H-pyrrol-2-yl)-3-oxopropanenitrile?
The molecular formula of 3-(1-Methyl-1H-pyrrol-2-yl)-3-oxopropanenitrile is C8H8N2O.
What is the molecular weight of 3-(1-Methyl-1H-pyrrol-2-yl)-3-oxopropanenitrile?
The molecular weight of 3-(1-Methyl-1H-pyrrol-2-yl)-3-oxopropanenitrile is 148.06 g/mol.
Where can I buy 3-(1-Methyl-1H-pyrrol-2-yl)-3-oxopropanenitrile?
You can request a quote for 3-(1-Methyl-1H-pyrrol-2-yl)-3-oxopropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-Methyl-1H-pyrrol-2-yl)-3-oxopropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-Methyl-1H-pyrrol-2-yl)-3-oxopropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.