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

C4H10N2O2 — CID 59104121

IUPAC3,4-dimethyl-2-oxido-1,2,5-oxadiazolidin-2-ium
SMILESCC1NO[NH+]([O-])C1C
InChIInChI=1S/C4H10N2O2/c1-3-4(2)6(7)8-5-3/h3-6H,1-2H3
InChIKeyMPGQTUKFTRTEAK-UHFFFAOYSA-N
MW118.14 g/mol
LogP-1.40
Rot. Bonds

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

3,4-dimethyl-2-oxido-1,2,5-oxadiazolidin-2-ium (PubChem CID 59104121) has the molecular formula C4H10N2O2 and a molecular weight of 118.14 g/mol. Its IUPAC name is 3,4-dimethyl-2-oxido-1,2,5-oxadiazolidin-2-ium.

Molecular Properties

Compound Name3,4-dimethyl-2-oxido-1,2,5-oxadiazolidin-2-ium
PubChem CID59104121
Molecular FormulaC4H10N2O2
Molecular Weight118.14 g/mol
Exact Mass118.07
IUPAC Name3,4-dimethyl-2-oxido-1,2,5-oxadiazolidin-2-ium
SMILESCC1NO[NH+]([O-])C1C
InChIInChI=1S/C4H10N2O2/c1-3-4(2)6(7)8-5-3/h3-6H,1-2H3
InChIKeyMPGQTUKFTRTEAK-UHFFFAOYSA-N
XLogP-1.40
TPSA48.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2-oxido-1,2,5-oxadiazolidin-2-ium?
The IUPAC name of 3,4-dimethyl-2-oxido-1,2,5-oxadiazolidin-2-ium (CID 59104121) is 3,4-dimethyl-2-oxido-1,2,5-oxadiazolidin-2-ium.
What is the SMILES notation for 3,4-dimethyl-2-oxido-1,2,5-oxadiazolidin-2-ium?
The canonical SMILES for 3,4-dimethyl-2-oxido-1,2,5-oxadiazolidin-2-ium is CC1NO[NH+]([O-])C1C.
What is the InChIKey of 3,4-dimethyl-2-oxido-1,2,5-oxadiazolidin-2-ium?
The InChIKey is MPGQTUKFTRTEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2/c1-3-4(2)6(7)8-5-3/h3-6H,1-2H3.
What are the key properties of 3,4-dimethyl-2-oxido-1,2,5-oxadiazolidin-2-ium?
3,4-dimethyl-2-oxido-1,2,5-oxadiazolidin-2-ium has a molecular weight of 118.14 g/mol, XLogP of -1.40, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2-oxido-1,2,5-oxadiazolidin-2-ium is sourced from PubChem (CID 59104121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).