3-methyl-2,5-dioxido-1,2,5-oxadiazolidine-2,5-diium

C3H8N2O3 — CID 163741337

IUPAC3-methyl-2,5-dioxido-1,2,5-oxadiazolidine-2,5-diium
SMILESCC1C[NH+]([O-])O[NH+]1[O-]
InChIInChI=1S/C3H8N2O3/c1-3-2-4(6)8-5(3)7/h3-5H,2H2,1H3
InChIKeyLIABXHUPFPNKHC-UHFFFAOYSA-N
MW120.11 g/mol
LogP-3.00
Rot. Bonds

About 3-methyl-2,5-dioxido-1,2,5-oxadiazolidine-2,5-diium

3-methyl-2,5-dioxido-1,2,5-oxadiazolidine-2,5-diium (PubChem CID 163741337) has the molecular formula C3H8N2O3 and a molecular weight of 120.11 g/mol. Its IUPAC name is 3-methyl-2,5-dioxido-1,2,5-oxadiazolidine-2,5-diium.

Molecular Properties

Compound Name3-methyl-2,5-dioxido-1,2,5-oxadiazolidine-2,5-diium
PubChem CID163741337
Molecular FormulaC3H8N2O3
Molecular Weight120.11 g/mol
Exact Mass120.05
IUPAC Name3-methyl-2,5-dioxido-1,2,5-oxadiazolidine-2,5-diium
SMILESCC1C[NH+]([O-])O[NH+]1[O-]
InChIInChI=1S/C3H8N2O3/c1-3-2-4(6)8-5(3)7/h3-5H,2H2,1H3
InChIKeyLIABXHUPFPNKHC-UHFFFAOYSA-N
XLogP-3.00
TPSA64.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.11
LogP ≤ 5-3.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-1,2,5-oxadiazolidine
CID 19688319
3,4-Dimethyl-1,2,5-oxadiazolidine
CID 20583502
3,4-Dimethyl-2-oxido-1,2,5-oxadiazolidin-2-ium
CID 59104121
3,4-Dimethyl-2,5-dioxido-1,2,5-oxadiazolidine-2,5-diium
CID 59104127
3,4-Dimethyl-2,5-dioxido-1,2,5-thiadiazolidine-2,5-diium
CID 59104149
N-[2-(dihydroxyamino)propyl]hydroxylamine
CID 87282482
(3R)-3-methyl-1,2,5-oxadiazolidine
CID 145737883
2-N,2-N-dihydroxypropane-1,2-diamine
CID 153980579
N-aminooxypropan-2-amine oxide
CID 163803273
2-(2,5-dioxido-1,2,5-oxadiazolidine-2,5-diium-3-yl)-N-[methyl(oxido)azaniumyl]oxyethanamine oxide
CID 164042330
3,4-Dimethyl-2-oxido-1,2,5-oxadiazolidine
CID 59104122
3,4-Diethyl-2-oxido-1,2,5-oxadiazolidin-2-ium
CID 163130906

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,5-dioxido-1,2,5-oxadiazolidine-2,5-diium?
The IUPAC name of 3-methyl-2,5-dioxido-1,2,5-oxadiazolidine-2,5-diium (CID 163741337) is 3-methyl-2,5-dioxido-1,2,5-oxadiazolidine-2,5-diium.
What is the SMILES notation for 3-methyl-2,5-dioxido-1,2,5-oxadiazolidine-2,5-diium?
The canonical SMILES for 3-methyl-2,5-dioxido-1,2,5-oxadiazolidine-2,5-diium is CC1C[NH+]([O-])O[NH+]1[O-].
What is the InChIKey of 3-methyl-2,5-dioxido-1,2,5-oxadiazolidine-2,5-diium?
The InChIKey is LIABXHUPFPNKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O3/c1-3-2-4(6)8-5(3)7/h3-5H,2H2,1H3.
What are the key properties of 3-methyl-2,5-dioxido-1,2,5-oxadiazolidine-2,5-diium?
3-methyl-2,5-dioxido-1,2,5-oxadiazolidine-2,5-diium has a molecular weight of 120.11 g/mol, XLogP of -3.00, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,5-dioxido-1,2,5-oxadiazolidine-2,5-diium is sourced from PubChem (CID 163741337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).