3,4-diethyl-2-oxido-1,2,5-oxadiazolidin-2-ium

C6H14N2O2 — CID 163130906

IUPAC3,4-diethyl-2-oxido-1,2,5-oxadiazolidin-2-ium
SMILESCCC1NO[NH+]([O-])C1CC
InChIInChI=1S/C6H14N2O2/c1-3-5-6(4-2)8(9)10-7-5/h5-8H,3-4H2,1-2H3
InChIKeyFHHMDWIFHXPVED-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.62
Rot. Bonds2

About 3,4-diethyl-2-oxido-1,2,5-oxadiazolidin-2-ium

3,4-diethyl-2-oxido-1,2,5-oxadiazolidin-2-ium (PubChem CID 163130906) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 3,4-diethyl-2-oxido-1,2,5-oxadiazolidin-2-ium.

Molecular Properties

Compound Name3,4-diethyl-2-oxido-1,2,5-oxadiazolidin-2-ium
PubChem CID163130906
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name3,4-diethyl-2-oxido-1,2,5-oxadiazolidin-2-ium
SMILESCCC1NO[NH+]([O-])C1CC
InChIInChI=1S/C6H14N2O2/c1-3-5-6(4-2)8(9)10-7-5/h5-8H,3-4H2,1-2H3
InChIKeyFHHMDWIFHXPVED-UHFFFAOYSA-N
XLogP-0.62
TPSA48.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-2-oxido-1,2,5-oxadiazolidin-2-ium?
The IUPAC name of 3,4-diethyl-2-oxido-1,2,5-oxadiazolidin-2-ium (CID 163130906) is 3,4-diethyl-2-oxido-1,2,5-oxadiazolidin-2-ium.
What is the SMILES notation for 3,4-diethyl-2-oxido-1,2,5-oxadiazolidin-2-ium?
The canonical SMILES for 3,4-diethyl-2-oxido-1,2,5-oxadiazolidin-2-ium is CCC1NO[NH+]([O-])C1CC.
What is the InChIKey of 3,4-diethyl-2-oxido-1,2,5-oxadiazolidin-2-ium?
The InChIKey is FHHMDWIFHXPVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-3-5-6(4-2)8(9)10-7-5/h5-8H,3-4H2,1-2H3.
What are the key properties of 3,4-diethyl-2-oxido-1,2,5-oxadiazolidin-2-ium?
3,4-diethyl-2-oxido-1,2,5-oxadiazolidin-2-ium has a molecular weight of 146.19 g/mol, XLogP of -0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-2-oxido-1,2,5-oxadiazolidin-2-ium is sourced from PubChem (CID 163130906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).