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

C5H9NO2 — CID 13076051

IUPAC3-ethyl-5,6-dihydro-1,4,2-dioxazine
SMILESCCC1=NOCCO1
InChIInChI=1S/C5H9NO2/c1-2-5-6-8-4-3-7-5/h2-4H2,1H3
InChIKeyQDNGGIZBRGDXDV-UHFFFAOYSA-N
MW115.13 g/mol
LogP0.76
Rot. Bonds1

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

3-ethyl-5,6-dihydro-1,4,2-dioxazine (PubChem CID 13076051) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is 3-ethyl-5,6-dihydro-1,4,2-dioxazine.

Molecular Properties

Compound Name3-ethyl-5,6-dihydro-1,4,2-dioxazine
PubChem CID13076051
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name3-ethyl-5,6-dihydro-1,4,2-dioxazine
SMILESCCC1=NOCCO1
InChIInChI=1S/C5H9NO2/c1-2-5-6-8-4-3-7-5/h2-4H2,1H3
InChIKeyQDNGGIZBRGDXDV-UHFFFAOYSA-N
XLogP0.76
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5,6-dihydro-1,4,2-dioxazine?
The IUPAC name of 3-ethyl-5,6-dihydro-1,4,2-dioxazine (CID 13076051) is 3-ethyl-5,6-dihydro-1,4,2-dioxazine.
What is the SMILES notation for 3-ethyl-5,6-dihydro-1,4,2-dioxazine?
The canonical SMILES for 3-ethyl-5,6-dihydro-1,4,2-dioxazine is CCC1=NOCCO1.
What is the InChIKey of 3-ethyl-5,6-dihydro-1,4,2-dioxazine?
The InChIKey is QDNGGIZBRGDXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-2-5-6-8-4-3-7-5/h2-4H2,1H3.
What are the key properties of 3-ethyl-5,6-dihydro-1,4,2-dioxazine?
3-ethyl-5,6-dihydro-1,4,2-dioxazine has a molecular weight of 115.13 g/mol, XLogP of 0.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5,6-dihydro-1,4,2-dioxazine is sourced from PubChem (CID 13076051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).