3-methyl-5,6-dihydro-1,4,2-dioxazine

C4H7NO2 — CID 15026073

IUPAC3-methyl-5,6-dihydro-1,4,2-dioxazine
SMILESCC1=NOCCO1
InChIInChI=1S/C4H7NO2/c1-4-5-7-3-2-6-4/h2-3H2,1H3
InChIKeyFNKZEXWIMNEYRP-UHFFFAOYSA-N
MW101.11 g/mol
LogP0.37
Rot. Bonds

About 3-methyl-5,6-dihydro-1,4,2-dioxazine

3-methyl-5,6-dihydro-1,4,2-dioxazine (PubChem CID 15026073) has the molecular formula C4H7NO2 and a molecular weight of 101.11 g/mol. Its IUPAC name is 3-methyl-5,6-dihydro-1,4,2-dioxazine.

Molecular Properties

Compound Name3-methyl-5,6-dihydro-1,4,2-dioxazine
PubChem CID15026073
Molecular FormulaC4H7NO2
Molecular Weight101.11 g/mol
Exact Mass101.05
IUPAC Name3-methyl-5,6-dihydro-1,4,2-dioxazine
SMILESCC1=NOCCO1
InChIInChI=1S/C4H7NO2/c1-4-5-7-3-2-6-4/h2-3H2,1H3
InChIKeyFNKZEXWIMNEYRP-UHFFFAOYSA-N
XLogP0.37
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.11
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5,6-dihydro-1,4,2-dioxazine?
The IUPAC name of 3-methyl-5,6-dihydro-1,4,2-dioxazine (CID 15026073) is 3-methyl-5,6-dihydro-1,4,2-dioxazine.
What is the SMILES notation for 3-methyl-5,6-dihydro-1,4,2-dioxazine?
The canonical SMILES for 3-methyl-5,6-dihydro-1,4,2-dioxazine is CC1=NOCCO1.
What is the InChIKey of 3-methyl-5,6-dihydro-1,4,2-dioxazine?
The InChIKey is FNKZEXWIMNEYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2/c1-4-5-7-3-2-6-4/h2-3H2,1H3.
What are the key properties of 3-methyl-5,6-dihydro-1,4,2-dioxazine?
3-methyl-5,6-dihydro-1,4,2-dioxazine has a molecular weight of 101.11 g/mol, XLogP of 0.37, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5,6-dihydro-1,4,2-dioxazine is sourced from PubChem (CID 15026073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).