2,3-dihydro-1,3-oxazin-4-one

C4H5NO2 — CID 21223281

IUPAC2,3-dihydro-1,3-oxazin-4-one
SMILESO=C1C=COCN1
InChIInChI=1S/C4H5NO2/c6-4-1-2-7-3-5-4/h1-2H,3H2,(H,5,6)
InChIKeyHDSRERMVGFIESH-UHFFFAOYSA-N
MW99.09 g/mol
LogP-0.40
Rot. Bonds

About 2,3-dihydro-1,3-oxazin-4-one

2,3-dihydro-1,3-oxazin-4-one (PubChem CID 21223281) has the molecular formula C4H5NO2 and a molecular weight of 99.09 g/mol. Its IUPAC name is 2,3-dihydro-1,3-oxazin-4-one.

Molecular Properties

Compound Name2,3-dihydro-1,3-oxazin-4-one
PubChem CID21223281
Molecular FormulaC4H5NO2
Molecular Weight99.09 g/mol
Exact Mass99.03
IUPAC Name2,3-dihydro-1,3-oxazin-4-one
SMILESO=C1C=COCN1
InChIInChI=1S/C4H5NO2/c6-4-1-2-7-3-5-4/h1-2H,3H2,(H,5,6)
InChIKeyHDSRERMVGFIESH-UHFFFAOYSA-N
XLogP-0.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.09
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,3-oxazin-4-one?
The IUPAC name of 2,3-dihydro-1,3-oxazin-4-one (CID 21223281) is 2,3-dihydro-1,3-oxazin-4-one.
What is the SMILES notation for 2,3-dihydro-1,3-oxazin-4-one?
The canonical SMILES for 2,3-dihydro-1,3-oxazin-4-one is O=C1C=COCN1.
What is the InChIKey of 2,3-dihydro-1,3-oxazin-4-one?
The InChIKey is HDSRERMVGFIESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2/c6-4-1-2-7-3-5-4/h1-2H,3H2,(H,5,6).
What are the key properties of 2,3-dihydro-1,3-oxazin-4-one?
2,3-dihydro-1,3-oxazin-4-one has a molecular weight of 99.09 g/mol, XLogP of -0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,3-oxazin-4-one is sourced from PubChem (CID 21223281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).