potassium N-oxidoacetamide

C2H4KNO2 — CID 23664918

IUPACpotassium N-oxidoacetamide
SMILESCC(=O)N[O-].[K+]
InChIInChI=1S/C2H4NO2.K/c1-2(4)3-5;/h1H3,(H-,3,4,5);/q-1;+1
InChIKeyPXYTXSWBXKDYEL-UHFFFAOYSA-N
MW113.16 g/mol
LogP-3.38
Rot. Bonds

About potassium N-oxidoacetamide

potassium N-oxidoacetamide (PubChem CID 23664918) has the molecular formula C2H4KNO2 and a molecular weight of 113.16 g/mol. Its IUPAC name is potassium N-oxidoacetamide.

Molecular Properties

Compound Namepotassium N-oxidoacetamide
PubChem CID23664918
Molecular FormulaC2H4KNO2
Molecular Weight113.16 g/mol
Exact Mass112.99
IUPAC Namepotassium N-oxidoacetamide
SMILESCC(=O)N[O-].[K+]
InChIInChI=1S/C2H4NO2.K/c1-2(4)3-5;/h1H3,(H-,3,4,5);/q-1;+1
InChIKeyPXYTXSWBXKDYEL-UHFFFAOYSA-N
XLogP-3.38
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-3.38
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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Frequently Asked Questions

What is the IUPAC name of potassium N-oxidoacetamide?
The IUPAC name of potassium N-oxidoacetamide (CID 23664918) is potassium N-oxidoacetamide.
What is the SMILES notation for potassium N-oxidoacetamide?
The canonical SMILES for potassium N-oxidoacetamide is CC(=O)N[O-].[K+].
What is the InChIKey of potassium N-oxidoacetamide?
The InChIKey is PXYTXSWBXKDYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4NO2.K/c1-2(4)3-5;/h1H3,(H-,3,4,5);/q-1;+1.
What are the key properties of potassium N-oxidoacetamide?
potassium N-oxidoacetamide has a molecular weight of 113.16 g/mol, XLogP of -3.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium N-oxidoacetamide is sourced from PubChem (CID 23664918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).