4-ethyl-5-methyl-1,3-oxazinan-2-one

C7H13NO2 — CID 89458123

IUPAC4-ethyl-5-methyl-1,3-oxazinan-2-one
SMILESCCC1NC(=O)OCC1C
InChIInChI=1S/C7H13NO2/c1-3-6-5(2)4-10-7(9)8-6/h5-6H,3-4H2,1-2H3,(H,8,9)
InChIKeyQLFADYBUFBTFBE-UHFFFAOYSA-N
MW143.19 g/mol
LogP1.14
Rot. Bonds1

About 4-ethyl-5-methyl-1,3-oxazinan-2-one

4-ethyl-5-methyl-1,3-oxazinan-2-one (PubChem CID 89458123) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 4-ethyl-5-methyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name4-ethyl-5-methyl-1,3-oxazinan-2-one
PubChem CID89458123
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name4-ethyl-5-methyl-1,3-oxazinan-2-one
SMILESCCC1NC(=O)OCC1C
InChIInChI=1S/C7H13NO2/c1-3-6-5(2)4-10-7(9)8-6/h5-6H,3-4H2,1-2H3,(H,8,9)
InChIKeyQLFADYBUFBTFBE-UHFFFAOYSA-N
XLogP1.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-1,3-oxazinan-2-one?
The IUPAC name of 4-ethyl-5-methyl-1,3-oxazinan-2-one (CID 89458123) is 4-ethyl-5-methyl-1,3-oxazinan-2-one.
What is the SMILES notation for 4-ethyl-5-methyl-1,3-oxazinan-2-one?
The canonical SMILES for 4-ethyl-5-methyl-1,3-oxazinan-2-one is CCC1NC(=O)OCC1C.
What is the InChIKey of 4-ethyl-5-methyl-1,3-oxazinan-2-one?
The InChIKey is QLFADYBUFBTFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-6-5(2)4-10-7(9)8-6/h5-6H,3-4H2,1-2H3,(H,8,9).
What are the key properties of 4-ethyl-5-methyl-1,3-oxazinan-2-one?
4-ethyl-5-methyl-1,3-oxazinan-2-one has a molecular weight of 143.19 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-1,3-oxazinan-2-one is sourced from PubChem (CID 89458123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).