![{2,2-dimethyl-3-[(1E)-3-oxobut-1-en-1-yl]cyclopropyl}acetonitrile structure](/static/products/375/375362-92-8.png)
{2,2-dimethyl-3-[(1E)-3-oxobut-1-en-1-yl]cyclopropyl}acetonitrile
TL;DR: {2,2-dimethyl-3-[(1E)-3-oxobut-1-en-1-yl]cyclopropyl}acetonitrile (CAS 375362-92-8) is a chemical compound with molecular formula C11H15NO and molecular weight 177.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,2-dimethyl-3-[(E)-3-oxobut-1-enyl]cyclopropyl]acetonitrile
Also Known As: 2-[2,2-dimethyl-3-[(E)-3-oxobut-1-enyl]cyclopropyl]acetonitrile, (E)-2-(2,2-dimethyl-3-(3-oxobut-1-en-1-yl)cyclopropyl)acetonitrile, {2,2-dimethyl-3-[(1E)-3-oxobut-1-en-1-yl]cyclopropyl}acetonitrile
| Molecular Formula | C11H15NO |
|---|---|
| Molecular Weight | 177.12 g/mol |
| LogP | 2.31748 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 177.11537 |
| Heavy Atoms | 13 |
| Complexity | 282.95563 |
Chemical Identifiers
| CAS Number | 375362-92-8 |
|---|---|
| SMILES | CC(=O)/C=C/C1C(C1(C)C)CC#N |
Product Overview
{2,2-dimethyl-3-[(1E)-3-oxobut-1-en-1-yl]cyclopropyl}acetonitrile (CAS 375362-92-8), with molecular formula C11H15NO and molecular weight 177.12 g/mol. IUPAC: 2-[2,2-dimethyl-3-[(E)-3-oxobut-1-enyl]cyclopropyl]acetonitrile.
Chemical Property Profile of {2,2-dimethyl-3-[(1E)-3-oxobut-1-en-1-yl]cyclopropyl}acetonitrile
Property Insights of {2,2-dimethyl-3-[(1E)-3-oxobut-1-en-1-yl]cyclopropyl}acetonitrile
The XLogP value of 2.31748 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {2,2-dimethyl-3-[(1E)-3-oxobut-1-en-1-yl]cyclopropyl}acetonitrile. With a topological polar surface area (TPSA) of 40.86 Ų, {2,2-dimethyl-3-[(1E)-3-oxobut-1-en-1-yl]cyclopropyl}acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, {2,2-dimethyl-3-[(1E)-3-oxobut-1-en-1-yl]cyclopropyl}acetonitrile 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 {2,2-dimethyl-3-[(1E)-3-oxobut-1-en-1-yl]cyclopropyl}acetonitrile?
The CAS number of {2,2-dimethyl-3-[(1E)-3-oxobut-1-en-1-yl]cyclopropyl}acetonitrile is 375362-92-8.
What is the molecular formula of {2,2-dimethyl-3-[(1E)-3-oxobut-1-en-1-yl]cyclopropyl}acetonitrile?
The molecular formula of {2,2-dimethyl-3-[(1E)-3-oxobut-1-en-1-yl]cyclopropyl}acetonitrile is C11H15NO.
What is the molecular weight of {2,2-dimethyl-3-[(1E)-3-oxobut-1-en-1-yl]cyclopropyl}acetonitrile?
The molecular weight of {2,2-dimethyl-3-[(1E)-3-oxobut-1-en-1-yl]cyclopropyl}acetonitrile is 177.12 g/mol.
Where can I buy {2,2-dimethyl-3-[(1E)-3-oxobut-1-en-1-yl]cyclopropyl}acetonitrile?
You can request a quote for {2,2-dimethyl-3-[(1E)-3-oxobut-1-en-1-yl]cyclopropyl}acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {2,2-dimethyl-3-[(1E)-3-oxobut-1-en-1-yl]cyclopropyl}acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for {2,2-dimethyl-3-[(1E)-3-oxobut-1-en-1-yl]cyclopropyl}acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.