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

C5H9NO3 — CID 168972110

IUPAC5-methoxy-1,3-oxazinan-2-one
SMILESCOC1CNC(=O)OC1
InChIInChI=1S/C5H9NO3/c1-8-4-2-6-5(7)9-3-4/h4H,2-3H2,1H3,(H,6,7)
InChIKeyTWOSSFWVWAKNGU-UHFFFAOYSA-N
MW131.13 g/mol
LogP-0.26
Rot. Bonds1

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

5-methoxy-1,3-oxazinan-2-one (PubChem CID 168972110) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is 5-methoxy-1,3-oxazinan-2-one.

Molecular Properties

Compound Name5-methoxy-1,3-oxazinan-2-one
PubChem CID168972110
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name5-methoxy-1,3-oxazinan-2-one
SMILESCOC1CNC(=O)OC1
InChIInChI=1S/C5H9NO3/c1-8-4-2-6-5(7)9-3-4/h4H,2-3H2,1H3,(H,6,7)
InChIKeyTWOSSFWVWAKNGU-UHFFFAOYSA-N
XLogP-0.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1,3-oxazinan-2-one?
The IUPAC name of 5-methoxy-1,3-oxazinan-2-one (CID 168972110) is 5-methoxy-1,3-oxazinan-2-one.
What is the SMILES notation for 5-methoxy-1,3-oxazinan-2-one?
The canonical SMILES for 5-methoxy-1,3-oxazinan-2-one is COC1CNC(=O)OC1.
What is the InChIKey of 5-methoxy-1,3-oxazinan-2-one?
The InChIKey is TWOSSFWVWAKNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c1-8-4-2-6-5(7)9-3-4/h4H,2-3H2,1H3,(H,6,7).
What are the key properties of 5-methoxy-1,3-oxazinan-2-one?
5-methoxy-1,3-oxazinan-2-one has a molecular weight of 131.13 g/mol, XLogP of -0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1,3-oxazinan-2-one is sourced from PubChem (CID 168972110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).