2-oxidooxadiazol-2-ium

C2H2N2O2 — CID 22227518

IUPAC2-oxidooxadiazol-2-ium
SMILES[O-][n+]1ncco1
InChIInChI=1S/C2H2N2O2/c5-4-3-1-2-6-4/h1-2H
InChIKeyKWIWXODOWQBLOJ-UHFFFAOYSA-N
MW86.05 g/mol
LogP-0.69
Rot. Bonds

About 2-oxidooxadiazol-2-ium

2-oxidooxadiazol-2-ium (PubChem CID 22227518) has the molecular formula C2H2N2O2 and a molecular weight of 86.05 g/mol. Its IUPAC name is 2-oxidooxadiazol-2-ium.

Molecular Properties

Compound Name2-oxidooxadiazol-2-ium
PubChem CID22227518
Molecular FormulaC2H2N2O2
Molecular Weight86.05 g/mol
Exact Mass86.01
IUPAC Name2-oxidooxadiazol-2-ium
SMILES[O-][n+]1ncco1
InChIInChI=1S/C2H2N2O2/c5-4-3-1-2-6-4/h1-2H
InChIKeyKWIWXODOWQBLOJ-UHFFFAOYSA-N
XLogP-0.69
TPSA52.97 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.05
LogP ≤ 5-0.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxidooxadiazol-2-ium?
The IUPAC name of 2-oxidooxadiazol-2-ium (CID 22227518) is 2-oxidooxadiazol-2-ium.
What is the SMILES notation for 2-oxidooxadiazol-2-ium?
The canonical SMILES for 2-oxidooxadiazol-2-ium is [O-][n+]1ncco1.
What is the InChIKey of 2-oxidooxadiazol-2-ium?
The InChIKey is KWIWXODOWQBLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2N2O2/c5-4-3-1-2-6-4/h1-2H.
What are the key properties of 2-oxidooxadiazol-2-ium?
2-oxidooxadiazol-2-ium has a molecular weight of 86.05 g/mol, XLogP of -0.69, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxidooxadiazol-2-ium is sourced from PubChem (CID 22227518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).