potassium 2-(2-nitroimidazol-1-yl)-N-oxidoacetamide

C5H5KN4O4 — CID 3078226

IUPACpotassium 2-(2-nitroimidazol-1-yl)-N-oxidoacetamide
SMILESO=C(Cn1ccnc1[N+](=O)[O-])N[O-].[K+]
InChIInChI=1S/C5H5N4O4.K/c10-4(7-11)3-8-2-1-6-5(8)9(12)13;/h1-2H,3H2,(H-,7,10,11);/q-1;+1
InChIKeyNLHKLPZFRLDBRO-UHFFFAOYSA-N
MW224.22 g/mol
LogP-3.59
Rot. Bonds3

About potassium 2-(2-nitroimidazol-1-yl)-N-oxidoacetamide

potassium 2-(2-nitroimidazol-1-yl)-N-oxidoacetamide (PubChem CID 3078226) has the molecular formula C5H5KN4O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is potassium 2-(2-nitroimidazol-1-yl)-N-oxidoacetamide.

Molecular Properties

Compound Namepotassium 2-(2-nitroimidazol-1-yl)-N-oxidoacetamide
PubChem CID3078226
Molecular FormulaC5H5KN4O4
Molecular Weight224.22 g/mol
Exact Mass223.99
IUPAC Namepotassium 2-(2-nitroimidazol-1-yl)-N-oxidoacetamide
SMILESO=C(Cn1ccnc1[N+](=O)[O-])N[O-].[K+]
InChIInChI=1S/C5H5N4O4.K/c10-4(7-11)3-8-2-1-6-5(8)9(12)13;/h1-2H,3H2,(H-,7,10,11);/q-1;+1
InChIKeyNLHKLPZFRLDBRO-UHFFFAOYSA-N
XLogP-3.59
TPSA113.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-3.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium 2-(2-nitroimidazol-1-yl)-N-oxidoacetamide?
The IUPAC name of potassium 2-(2-nitroimidazol-1-yl)-N-oxidoacetamide (CID 3078226) is potassium 2-(2-nitroimidazol-1-yl)-N-oxidoacetamide.
What is the SMILES notation for potassium 2-(2-nitroimidazol-1-yl)-N-oxidoacetamide?
The canonical SMILES for potassium 2-(2-nitroimidazol-1-yl)-N-oxidoacetamide is O=C(Cn1ccnc1[N+](=O)[O-])N[O-].[K+].
What is the InChIKey of potassium 2-(2-nitroimidazol-1-yl)-N-oxidoacetamide?
The InChIKey is NLHKLPZFRLDBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N4O4.K/c10-4(7-11)3-8-2-1-6-5(8)9(12)13;/h1-2H,3H2,(H-,7,10,11);/q-1;+1.
What are the key properties of potassium 2-(2-nitroimidazol-1-yl)-N-oxidoacetamide?
potassium 2-(2-nitroimidazol-1-yl)-N-oxidoacetamide has a molecular weight of 224.22 g/mol, XLogP of -3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-(2-nitroimidazol-1-yl)-N-oxidoacetamide is sourced from PubChem (CID 3078226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).