3,4-dimethyl-2,5-dioxido-1,2,5-oxadiazolidine-2,5-diium

C4H10N2O3 — CID 59104127

IUPAC3,4-dimethyl-2,5-dioxido-1,2,5-oxadiazolidine-2,5-diium
SMILESCC1C(C)[NH+]([O-])O[NH+]1[O-]
InChIInChI=1S/C4H10N2O3/c1-3-4(2)6(8)9-5(3)7/h3-6H,1-2H3
InChIKeyCSFBZUZJLRQEAW-UHFFFAOYSA-N
MW134.13 g/mol
LogP-2.61
Rot. Bonds

About 3,4-dimethyl-2,5-dioxido-1,2,5-oxadiazolidine-2,5-diium

3,4-dimethyl-2,5-dioxido-1,2,5-oxadiazolidine-2,5-diium (PubChem CID 59104127) has the molecular formula C4H10N2O3 and a molecular weight of 134.13 g/mol. Its IUPAC name is 3,4-dimethyl-2,5-dioxido-1,2,5-oxadiazolidine-2,5-diium.

Molecular Properties

Compound Name3,4-dimethyl-2,5-dioxido-1,2,5-oxadiazolidine-2,5-diium
PubChem CID59104127
Molecular FormulaC4H10N2O3
Molecular Weight134.13 g/mol
Exact Mass134.07
IUPAC Name3,4-dimethyl-2,5-dioxido-1,2,5-oxadiazolidine-2,5-diium
SMILESCC1C(C)[NH+]([O-])O[NH+]1[O-]
InChIInChI=1S/C4H10N2O3/c1-3-4(2)6(8)9-5(3)7/h3-6H,1-2H3
InChIKeyCSFBZUZJLRQEAW-UHFFFAOYSA-N
XLogP-2.61
TPSA64.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 5-2.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2,5-dioxido-1,2,5-oxadiazolidine-2,5-diium?
The IUPAC name of 3,4-dimethyl-2,5-dioxido-1,2,5-oxadiazolidine-2,5-diium (CID 59104127) is 3,4-dimethyl-2,5-dioxido-1,2,5-oxadiazolidine-2,5-diium.
What is the SMILES notation for 3,4-dimethyl-2,5-dioxido-1,2,5-oxadiazolidine-2,5-diium?
The canonical SMILES for 3,4-dimethyl-2,5-dioxido-1,2,5-oxadiazolidine-2,5-diium is CC1C(C)[NH+]([O-])O[NH+]1[O-].
What is the InChIKey of 3,4-dimethyl-2,5-dioxido-1,2,5-oxadiazolidine-2,5-diium?
The InChIKey is CSFBZUZJLRQEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O3/c1-3-4(2)6(8)9-5(3)7/h3-6H,1-2H3.
What are the key properties of 3,4-dimethyl-2,5-dioxido-1,2,5-oxadiazolidine-2,5-diium?
3,4-dimethyl-2,5-dioxido-1,2,5-oxadiazolidine-2,5-diium has a molecular weight of 134.13 g/mol, XLogP of -2.61, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2,5-dioxido-1,2,5-oxadiazolidine-2,5-diium is sourced from PubChem (CID 59104127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).