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

C5H9NO2 — CID 55299847

IUPAC5-methyl-1,3-oxazinan-2-one
SMILESCC1CNC(=O)OC1
InChIInChI=1S/C5H9NO2/c1-4-2-6-5(7)8-3-4/h4H,2-3H2,1H3,(H,6,7)
InChIKeyLELZSUDFAAFITO-UHFFFAOYSA-N
MW115.13 g/mol
LogP0.36
Rot. Bonds

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

5-methyl-1,3-oxazinan-2-one (PubChem CID 55299847) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is 5-methyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name5-methyl-1,3-oxazinan-2-one
PubChem CID55299847
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name5-methyl-1,3-oxazinan-2-one
SMILESCC1CNC(=O)OC1
InChIInChI=1S/C5H9NO2/c1-4-2-6-5(7)8-3-4/h4H,2-3H2,1H3,(H,6,7)
InChIKeyLELZSUDFAAFITO-UHFFFAOYSA-N
XLogP0.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,3-oxazinan-2-one?
The IUPAC name of 5-methyl-1,3-oxazinan-2-one (CID 55299847) is 5-methyl-1,3-oxazinan-2-one.
What is the SMILES notation for 5-methyl-1,3-oxazinan-2-one?
The canonical SMILES for 5-methyl-1,3-oxazinan-2-one is CC1CNC(=O)OC1.
What is the InChIKey of 5-methyl-1,3-oxazinan-2-one?
The InChIKey is LELZSUDFAAFITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-4-2-6-5(7)8-3-4/h4H,2-3H2,1H3,(H,6,7).
What are the key properties of 5-methyl-1,3-oxazinan-2-one?
5-methyl-1,3-oxazinan-2-one has a molecular weight of 115.13 g/mol, XLogP of 0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,3-oxazinan-2-one is sourced from PubChem (CID 55299847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).