potassium 4-acetyl-3-oxidooxadiazol-3-ium-5-olate

C4H3KN2O4 — CID 78088535

IUPACpotassium 4-acetyl-3-oxidooxadiazol-3-ium-5-olate
SMILESCC(=O)c1c([O-])on[n+]1[O-].[K+]
InChIInChI=1S/C4H4N2O4.K/c1-2(7)3-4(8)10-5-6(3)9;/h8H,1H3;/q;+1/p-1
InChIKeyPZDYERIRRWOTNP-UHFFFAOYSA-M
MW182.18 g/mol
LogP-4.41
Rot. Bonds1

About potassium 4-acetyl-3-oxidooxadiazol-3-ium-5-olate

potassium 4-acetyl-3-oxidooxadiazol-3-ium-5-olate (PubChem CID 78088535) has the molecular formula C4H3KN2O4 and a molecular weight of 182.18 g/mol. Its IUPAC name is potassium 4-acetyl-3-oxidooxadiazol-3-ium-5-olate.

Molecular Properties

Compound Namepotassium 4-acetyl-3-oxidooxadiazol-3-ium-5-olate
PubChem CID78088535
Molecular FormulaC4H3KN2O4
Molecular Weight182.18 g/mol
Exact Mass181.97
IUPAC Namepotassium 4-acetyl-3-oxidooxadiazol-3-ium-5-olate
SMILESCC(=O)c1c([O-])on[n+]1[O-].[K+]
InChIInChI=1S/C4H4N2O4.K/c1-2(7)3-4(8)10-5-6(3)9;/h8H,1H3;/q;+1/p-1
InChIKeyPZDYERIRRWOTNP-UHFFFAOYSA-M
XLogP-4.41
TPSA93.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-4.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium 4-acetyl-3-oxidooxadiazol-3-ium-5-olate?
The IUPAC name of potassium 4-acetyl-3-oxidooxadiazol-3-ium-5-olate (CID 78088535) is potassium 4-acetyl-3-oxidooxadiazol-3-ium-5-olate.
What is the SMILES notation for potassium 4-acetyl-3-oxidooxadiazol-3-ium-5-olate?
The canonical SMILES for potassium 4-acetyl-3-oxidooxadiazol-3-ium-5-olate is CC(=O)c1c([O-])on[n+]1[O-].[K+].
What is the InChIKey of potassium 4-acetyl-3-oxidooxadiazol-3-ium-5-olate?
The InChIKey is PZDYERIRRWOTNP-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H4N2O4.K/c1-2(7)3-4(8)10-5-6(3)9;/h8H,1H3;/q;+1/p-1.
What are the key properties of potassium 4-acetyl-3-oxidooxadiazol-3-ium-5-olate?
potassium 4-acetyl-3-oxidooxadiazol-3-ium-5-olate has a molecular weight of 182.18 g/mol, XLogP of -4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-acetyl-3-oxidooxadiazol-3-ium-5-olate is sourced from PubChem (CID 78088535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).