5,6-dihydro-1,3-oxazin-2-one

C4H5NO2 — CID 70306930

IUPAC5,6-dihydro-1,3-oxazin-2-one
SMILESO=C1N=CCCO1
InChIInChI=1S/C4H5NO2/c6-4-5-2-1-3-7-4/h2H,1,3H2
InChIKeyPFIWECPTHHWFOC-UHFFFAOYSA-N
MW99.09 g/mol
LogP0.60
Rot. Bonds

About 5,6-dihydro-1,3-oxazin-2-one

5,6-dihydro-1,3-oxazin-2-one (PubChem CID 70306930) has the molecular formula C4H5NO2 and a molecular weight of 99.09 g/mol. Its IUPAC name is 5,6-dihydro-1,3-oxazin-2-one.

Molecular Properties

Compound Name5,6-dihydro-1,3-oxazin-2-one
PubChem CID70306930
Molecular FormulaC4H5NO2
Molecular Weight99.09 g/mol
Exact Mass99.03
IUPAC Name5,6-dihydro-1,3-oxazin-2-one
SMILESO=C1N=CCCO1
InChIInChI=1S/C4H5NO2/c6-4-5-2-1-3-7-4/h2H,1,3H2
InChIKeyPFIWECPTHHWFOC-UHFFFAOYSA-N
XLogP0.60
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.09
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-1,3-oxazin-2-one?
The IUPAC name of 5,6-dihydro-1,3-oxazin-2-one (CID 70306930) is 5,6-dihydro-1,3-oxazin-2-one.
What is the SMILES notation for 5,6-dihydro-1,3-oxazin-2-one?
The canonical SMILES for 5,6-dihydro-1,3-oxazin-2-one is O=C1N=CCCO1.
What is the InChIKey of 5,6-dihydro-1,3-oxazin-2-one?
The InChIKey is PFIWECPTHHWFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2/c6-4-5-2-1-3-7-4/h2H,1,3H2.
What are the key properties of 5,6-dihydro-1,3-oxazin-2-one?
5,6-dihydro-1,3-oxazin-2-one has a molecular weight of 99.09 g/mol, XLogP of 0.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-1,3-oxazin-2-one is sourced from PubChem (CID 70306930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).