potassium;N-oxidoacetamide;hydrate

C2H6KNO3 — CID 23700527

IUPACpotassium;N-oxidoacetamide;hydrate
SMILESCC(=O)N[O-].O.[K+]
InChIInChI=1S/C2H4NO2.K.H2O/c1-2(4)3-5;;/h1H3,(H-,3,4,5);;1H2/q-1;+1;
InChIKeyBVEGSFWOPIDHFY-UHFFFAOYSA-N
MW131.17 g/mol
LogP-4.20
Rot. Bonds

About potassium;N-oxidoacetamide;hydrate

potassium;N-oxidoacetamide;hydrate (PubChem CID 23700527) has the molecular formula C2H6KNO3 and a molecular weight of 131.17 g/mol. Its IUPAC name is potassium;N-oxidoacetamide;hydrate.

Molecular Properties

Compound Namepotassium;N-oxidoacetamide;hydrate
PubChem CID23700527
Molecular FormulaC2H6KNO3
Molecular Weight131.17 g/mol
Exact Mass131.00
IUPAC Namepotassium;N-oxidoacetamide;hydrate
SMILESCC(=O)N[O-].O.[K+]
InChIInChI=1S/C2H4NO2.K.H2O/c1-2(4)3-5;;/h1H3,(H-,3,4,5);;1H2/q-1;+1;
InChIKeyBVEGSFWOPIDHFY-UHFFFAOYSA-N
XLogP-4.20
TPSA83.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 5-4.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Acetohydroxamic Acid
CID 1990
N-Hydroxypropanamide
CID 75743
N-Methoxyacetamide
CID 138591
N-oxidoacetamide
CID 12010866
2-Fluoro-N-hydroxyacetamide
CID 13003311
propionamide-N-oxide
CID 129701587
2-Acetylaminohydroxylamin
CID 129712925
Acetamido hypofluorite
CID 143778209
N-hydroxyacetamide;iron(3+)
CID 10129970
Acetyl(oxido)azanium
CID 21251100
potassium N-oxidoacetamide
CID 23664918
sodium N-oxidoacetamide
CID 23665698

Frequently Asked Questions

What is the IUPAC name of potassium;N-oxidoacetamide;hydrate?
The IUPAC name of potassium;N-oxidoacetamide;hydrate (CID 23700527) is potassium;N-oxidoacetamide;hydrate.
What is the SMILES notation for potassium;N-oxidoacetamide;hydrate?
The canonical SMILES for potassium;N-oxidoacetamide;hydrate is CC(=O)N[O-].O.[K+].
What is the InChIKey of potassium;N-oxidoacetamide;hydrate?
The InChIKey is BVEGSFWOPIDHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4NO2.K.H2O/c1-2(4)3-5;;/h1H3,(H-,3,4,5);;1H2/q-1;+1;.
What are the key properties of potassium;N-oxidoacetamide;hydrate?
potassium;N-oxidoacetamide;hydrate has a molecular weight of 131.17 g/mol, XLogP of -4.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;N-oxidoacetamide;hydrate is sourced from PubChem (CID 23700527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).