sodium N-oxidoacetamide

C2H4NNaO2 — CID 23665698

IUPACsodium N-oxidoacetamide
SMILESCC(=O)N[O-].[Na+]
InChIInChI=1S/C2H4NO2.Na/c1-2(4)3-5;/h1H3,(H-,3,4,5);/q-1;+1
InChIKeyNXEMFEXLQSNTIY-UHFFFAOYSA-N
MW97.05 g/mol
LogP-3.38
Rot. Bonds

About sodium N-oxidoacetamide

sodium N-oxidoacetamide (PubChem CID 23665698) has the molecular formula C2H4NNaO2 and a molecular weight of 97.05 g/mol. Its IUPAC name is sodium N-oxidoacetamide.

Molecular Properties

Compound Namesodium N-oxidoacetamide
PubChem CID23665698
Molecular FormulaC2H4NNaO2
Molecular Weight97.05 g/mol
Exact Mass97.01
IUPAC Namesodium N-oxidoacetamide
SMILESCC(=O)N[O-].[Na+]
InChIInChI=1S/C2H4NO2.Na/c1-2(4)3-5;/h1H3,(H-,3,4,5);/q-1;+1
InChIKeyNXEMFEXLQSNTIY-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 ≤ 50097.05
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 sodium N-oxidoacetamide?
The IUPAC name of sodium N-oxidoacetamide (CID 23665698) is sodium N-oxidoacetamide.
What is the SMILES notation for sodium N-oxidoacetamide?
The canonical SMILES for sodium N-oxidoacetamide is CC(=O)N[O-].[Na+].
What is the InChIKey of sodium N-oxidoacetamide?
The InChIKey is NXEMFEXLQSNTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4NO2.Na/c1-2(4)3-5;/h1H3,(H-,3,4,5);/q-1;+1.
What are the key properties of sodium N-oxidoacetamide?
sodium N-oxidoacetamide has a molecular weight of 97.05 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 sodium N-oxidoacetamide is sourced from PubChem (CID 23665698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).