2,3-dihydro-1,4-oxazin-6-one

C4H5NO2 — CID 10796705

IUPAC2,3-dihydro-1,4-oxazin-6-one
SMILESO=C1C=NCCO1
InChIInChI=1S/C4H5NO2/c6-4-3-5-1-2-7-4/h3H,1-2H2
InChIKeyNQEFWQQWORKYNG-UHFFFAOYSA-N
MW99.09 g/mol
LogP-0.39
Rot. Bonds

About 2,3-dihydro-1,4-oxazin-6-one

2,3-dihydro-1,4-oxazin-6-one (PubChem CID 10796705) has the molecular formula C4H5NO2 and a molecular weight of 99.09 g/mol. Its IUPAC name is 2,3-dihydro-1,4-oxazin-6-one.

Molecular Properties

Compound Name2,3-dihydro-1,4-oxazin-6-one
PubChem CID10796705
Molecular FormulaC4H5NO2
Molecular Weight99.09 g/mol
Exact Mass99.03
IUPAC Name2,3-dihydro-1,4-oxazin-6-one
SMILESO=C1C=NCCO1
InChIInChI=1S/C4H5NO2/c6-4-3-5-1-2-7-4/h3H,1-2H2
InChIKeyNQEFWQQWORKYNG-UHFFFAOYSA-N
XLogP-0.39
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.09
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-oxazin-6-one?
The IUPAC name of 2,3-dihydro-1,4-oxazin-6-one (CID 10796705) is 2,3-dihydro-1,4-oxazin-6-one.
What is the SMILES notation for 2,3-dihydro-1,4-oxazin-6-one?
The canonical SMILES for 2,3-dihydro-1,4-oxazin-6-one is O=C1C=NCCO1.
What is the InChIKey of 2,3-dihydro-1,4-oxazin-6-one?
The InChIKey is NQEFWQQWORKYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2/c6-4-3-5-1-2-7-4/h3H,1-2H2.
What are the key properties of 2,3-dihydro-1,4-oxazin-6-one?
2,3-dihydro-1,4-oxazin-6-one has a molecular weight of 99.09 g/mol, XLogP of -0.39, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-oxazin-6-one is sourced from PubChem (CID 10796705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).