3-ethyl-5-methyl-4H-1,4-oxazine

C7H11NO — CID 141139247

IUPAC3-ethyl-5-methyl-4H-1,4-oxazine
SMILESCCC1=COC=C(C)N1
InChIInChI=1S/C7H11NO/c1-3-7-5-9-4-6(2)8-7/h4-5,8H,3H2,1-2H3
InChIKeyDNSFYZQIKXHXMG-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.72
Rot. Bonds1

About 3-ethyl-5-methyl-4H-1,4-oxazine

3-ethyl-5-methyl-4H-1,4-oxazine (PubChem CID 141139247) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 3-ethyl-5-methyl-4H-1,4-oxazine.

Molecular Properties

Compound Name3-ethyl-5-methyl-4H-1,4-oxazine
PubChem CID141139247
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name3-ethyl-5-methyl-4H-1,4-oxazine
SMILESCCC1=COC=C(C)N1
InChIInChI=1S/C7H11NO/c1-3-7-5-9-4-6(2)8-7/h4-5,8H,3H2,1-2H3
InChIKeyDNSFYZQIKXHXMG-UHFFFAOYSA-N
XLogP1.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-4H-1,4-oxazine?
The IUPAC name of 3-ethyl-5-methyl-4H-1,4-oxazine (CID 141139247) is 3-ethyl-5-methyl-4H-1,4-oxazine.
What is the SMILES notation for 3-ethyl-5-methyl-4H-1,4-oxazine?
The canonical SMILES for 3-ethyl-5-methyl-4H-1,4-oxazine is CCC1=COC=C(C)N1.
What is the InChIKey of 3-ethyl-5-methyl-4H-1,4-oxazine?
The InChIKey is DNSFYZQIKXHXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-3-7-5-9-4-6(2)8-7/h4-5,8H,3H2,1-2H3.
What are the key properties of 3-ethyl-5-methyl-4H-1,4-oxazine?
3-ethyl-5-methyl-4H-1,4-oxazine has a molecular weight of 125.17 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-4H-1,4-oxazine is sourced from PubChem (CID 141139247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).