About 4-ethyl-6-methyl-4H-oxazine
4-ethyl-6-methyl-4H-oxazine (PubChem CID 123962480) has the molecular formula C7H11NO
and a molecular weight of 125.17 g/mol. Its IUPAC name is 4-ethyl-6-methyl-4H-oxazine.
Molecular Properties
| Compound Name | 4-ethyl-6-methyl-4H-oxazine |
| PubChem CID | 123962480 |
| Molecular Formula | C7H11NO |
| Molecular Weight | 125.17 g/mol |
| Exact Mass | 125.08 |
| IUPAC Name | 4-ethyl-6-methyl-4H-oxazine |
| SMILES | CCC1C=NOC(C)=C1 |
| InChI | InChI=1S/C7H11NO/c1-3-7-4-6(2)9-8-5-7/h4-5,7H,3H2,1-2H3 |
| InChIKey | UCDCBGSDSLVMBI-UHFFFAOYSA-N |
| XLogP | 1.93 |
| TPSA | 21.59 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 9 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 125.17 |
| LogP ≤ 5 | 1.93 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 4-ethyl-6-methyl-4H-oxazine?
The IUPAC name of 4-ethyl-6-methyl-4H-oxazine (CID 123962480) is 4-ethyl-6-methyl-4H-oxazine.
What is the SMILES notation for 4-ethyl-6-methyl-4H-oxazine?
The canonical SMILES for 4-ethyl-6-methyl-4H-oxazine is CCC1C=NOC(C)=C1.
What is the InChIKey of 4-ethyl-6-methyl-4H-oxazine?
The InChIKey is UCDCBGSDSLVMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-3-7-4-6(2)9-8-5-7/h4-5,7H,3H2,1-2H3.
What are the key properties of 4-ethyl-6-methyl-4H-oxazine?
4-ethyl-6-methyl-4H-oxazine has a molecular weight of 125.17 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-methyl-4H-oxazine is sourced from PubChem (CID 123962480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).