2-cyano-N-(prop-2-en-1-yl)acetamide
TL;DR: 2-cyano-N-(prop-2-en-1-yl)acetamide (CAS 733740-35-7) is a chemical compound with molecular formula C6H8N2O and molecular weight 124.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-N-prop-2-enylacetamide
Also Known As: 2-cyano-N-(prop-2-en-1-yl)acetamide, N-Allyl-2-cyano-acetamide, N-allyl-2-cyanoacetamide, 2-cyano-N-prop-2-enylacetamide, N-Allyl-2-cyan-acetamid
| Molecular Formula | C6H8N2O |
|---|---|
| Molecular Weight | 124.06 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 124.06366 |
| Heavy Atoms | 9 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 733740-35-7 |
|---|---|
| SMILES | C=CCNC(=O)CC#N |
| InChIKey | MWBQAPDDXDMDKB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-cyano-N-(prop-2-en-1-yl)acetamide (CAS 733740-35-7), with molecular formula C6H8N2O and molecular weight 124.06 g/mol. IUPAC: 2-cyano-N-prop-2-enylacetamide.
Chemical Property Profile of 2-cyano-N-(prop-2-en-1-yl)acetamide
Property Insights of 2-cyano-N-(prop-2-en-1-yl)acetamide
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-cyano-N-(prop-2-en-1-yl)acetamide. With a topological polar surface area (TPSA) of 52.9 Ų, 2-cyano-N-(prop-2-en-1-yl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-cyano-N-(prop-2-en-1-yl)acetamide has 1 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 2-cyano-N-(prop-2-en-1-yl)acetamide?
The CAS number of 2-cyano-N-(prop-2-en-1-yl)acetamide is 733740-35-7.
What is the molecular formula of 2-cyano-N-(prop-2-en-1-yl)acetamide?
The molecular formula of 2-cyano-N-(prop-2-en-1-yl)acetamide is C6H8N2O.
What is the molecular weight of 2-cyano-N-(prop-2-en-1-yl)acetamide?
The molecular weight of 2-cyano-N-(prop-2-en-1-yl)acetamide is 124.06 g/mol.
Where can I buy 2-cyano-N-(prop-2-en-1-yl)acetamide?
You can request a quote for 2-cyano-N-(prop-2-en-1-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-cyano-N-(prop-2-en-1-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-cyano-N-(prop-2-en-1-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.