4-ethyl-6-methyl-4H-oxazine

C7H11NO — CID 123962480

IUPAC4-ethyl-6-methyl-4H-oxazine
SMILESCCC1C=NOC(C)=C1
InChIInChI=1S/C7H11NO/c1-3-7-4-6(2)9-8-5-7/h4-5,7H,3H2,1-2H3
InChIKeyUCDCBGSDSLVMBI-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.93
Rot. Bonds1

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 Name4-ethyl-6-methyl-4H-oxazine
PubChem CID123962480
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name4-ethyl-6-methyl-4H-oxazine
SMILESCCC1C=NOC(C)=C1
InChIInChI=1S/C7H11NO/c1-3-7-4-6(2)9-8-5-7/h4-5,7H,3H2,1-2H3
InChIKeyUCDCBGSDSLVMBI-UHFFFAOYSA-N
XLogP1.93
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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).