2-Allyl-5-hydroxy-1-methyl-3-oxocyclopentanecarbonitrile
TL;DR: 2-Allyl-5-hydroxy-1-methyl-3-oxocyclopentanecarbonitrile (CAS 69745-72-8) is a chemical compound with molecular formula C10H13NO2 and molecular weight 179.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-1-methyl-3-oxo-2-prop-2-enylcyclopentane-1-carbonitrile
Also Known As: 2-Allyl-5-hydroxy-1-methyl-3-oxocyclopentanecarbonitrile, 2-Allyl-5-hydroxy-1-methyl-3-oxocyclopentanecarbonitrile #, 5-hydroxy-1-methyl-3-oxo-2-prop-2-enylcyclopentane-1-carbonitrile, Cyclopentanecarbonitrile, 5-hydroxy-1-methyl-3-oxo-2-(2-propenyl)-, 5-hydroxy-1-methyl-3-oxo-2-(prop-2-en-1-yl)cyclopentane-1-carbonitrile
| Molecular Formula | C10H13NO2 |
|---|---|
| Molecular Weight | 179.09 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 61.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.09464 |
| Heavy Atoms | 13 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 69745-72-8 |
|---|---|
| SMILES | CC1(C(CC(=O)C1CC=C)O)C#N |
| InChIKey | DVPCNKHYBWOEDZ-UHFFFAOYSA-N |
Product Overview
2-Allyl-5-hydroxy-1-methyl-3-oxocyclopentanecarbonitrile (CAS 69745-72-8), with molecular formula C10H13NO2 and molecular weight 179.09 g/mol. IUPAC: 5-hydroxy-1-methyl-3-oxo-2-prop-2-enylcyclopentane-1-carbonitrile.
Chemical Property Profile of 2-Allyl-5-hydroxy-1-methyl-3-oxocyclopentanecarbonitrile
Property Insights of 2-Allyl-5-hydroxy-1-methyl-3-oxocyclopentanecarbonitrile
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Allyl-5-hydroxy-1-methyl-3-oxocyclopentanecarbonitrile. The TPSA of 61.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Allyl-5-hydroxy-1-methyl-3-oxocyclopentanecarbonitrile. Following Lipinski's Rule of Five, 2-Allyl-5-hydroxy-1-methyl-3-oxocyclopentanecarbonitrile has 1 hydrogen bond donor(s) and 3 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-Allyl-5-hydroxy-1-methyl-3-oxocyclopentanecarbonitrile?
The CAS number of 2-Allyl-5-hydroxy-1-methyl-3-oxocyclopentanecarbonitrile is 69745-72-8.
What is the molecular formula of 2-Allyl-5-hydroxy-1-methyl-3-oxocyclopentanecarbonitrile?
The molecular formula of 2-Allyl-5-hydroxy-1-methyl-3-oxocyclopentanecarbonitrile is C10H13NO2.
What is the molecular weight of 2-Allyl-5-hydroxy-1-methyl-3-oxocyclopentanecarbonitrile?
The molecular weight of 2-Allyl-5-hydroxy-1-methyl-3-oxocyclopentanecarbonitrile is 179.09 g/mol.
Where can I buy 2-Allyl-5-hydroxy-1-methyl-3-oxocyclopentanecarbonitrile?
You can request a quote for 2-Allyl-5-hydroxy-1-methyl-3-oxocyclopentanecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Allyl-5-hydroxy-1-methyl-3-oxocyclopentanecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Allyl-5-hydroxy-1-methyl-3-oxocyclopentanecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.