3-(Pyrrol-1-yl)propiononitrile
TL;DR: 3-(Pyrrol-1-yl)propiononitrile (CAS 43036-06-2) is a chemical compound with molecular formula C7H8N2 and molecular weight 120.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-pyrrol-1-ylpropanenitrile
Also Known As: 3-(1H-Pyrrol-1-yl)propanenitrile, N-(2-cyanoethyl)pyrrole, 1-(2-Cyanoethyl)pyrrole, 1H-Pyrrole-1-propanenitrile, Pyrrole-1-propionitrile
| Molecular Formula | C7H8N2 |
|---|---|
| Molecular Weight | 120.07 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 28.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 120.06875 |
| Heavy Atoms | 9 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 43036-06-2 |
|---|---|
| SMILES | C1=CN(C=C1)CCC#N |
| InChIKey | IYOLJLGYJMJLSU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Pyrrol-1-yl)propiononitrile (CAS 43036-06-2), with molecular formula C7H8N2 and molecular weight 120.07 g/mol. IUPAC: 3-pyrrol-1-ylpropanenitrile.
Chemical Property Profile of 3-(Pyrrol-1-yl)propiononitrile
Property Insights of 3-(Pyrrol-1-yl)propiononitrile
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Pyrrol-1-yl)propiononitrile. With a topological polar surface area (TPSA) of 28.7 Ų, 3-(Pyrrol-1-yl)propiononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Pyrrol-1-yl)propiononitrile has 0 hydrogen bond donor(s) and 1 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-(Pyrrol-1-yl)propiononitrile?
The CAS number of 3-(Pyrrol-1-yl)propiononitrile is 43036-06-2.
What is the molecular formula of 3-(Pyrrol-1-yl)propiononitrile?
The molecular formula of 3-(Pyrrol-1-yl)propiononitrile is C7H8N2.
What is the molecular weight of 3-(Pyrrol-1-yl)propiononitrile?
The molecular weight of 3-(Pyrrol-1-yl)propiononitrile is 120.07 g/mol.
Where can I buy 3-(Pyrrol-1-yl)propiononitrile?
You can request a quote for 3-(Pyrrol-1-yl)propiononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Pyrrol-1-yl)propiononitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(Pyrrol-1-yl)propiononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.