2-hydroperoxyiminoacetamide

C2H4N2O3 — CID 141143472

IUPAC2-hydroperoxyiminoacetamide
SMILESNC(=O)C=NOO
InChIInChI=1S/C2H4N2O3/c3-2(5)1-4-7-6/h1,6H,(H2,3,5)
InChIKeyWFMYTLQYEQSLHO-UHFFFAOYSA-N
MW104.06 g/mol
LogP-1.05
Rot. Bonds2

About 2-hydroperoxyiminoacetamide

2-hydroperoxyiminoacetamide (PubChem CID 141143472) has the molecular formula C2H4N2O3 and a molecular weight of 104.06 g/mol. Its IUPAC name is 2-hydroperoxyiminoacetamide.

Molecular Properties

Compound Name2-hydroperoxyiminoacetamide
PubChem CID141143472
Molecular FormulaC2H4N2O3
Molecular Weight104.06 g/mol
Exact Mass104.02
IUPAC Name2-hydroperoxyiminoacetamide
SMILESNC(=O)C=NOO
InChIInChI=1S/C2H4N2O3/c3-2(5)1-4-7-6/h1,6H,(H2,3,5)
InChIKeyWFMYTLQYEQSLHO-UHFFFAOYSA-N
XLogP-1.05
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.06
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroperoxyiminoacetamide?
The IUPAC name of 2-hydroperoxyiminoacetamide (CID 141143472) is 2-hydroperoxyiminoacetamide.
What is the SMILES notation for 2-hydroperoxyiminoacetamide?
The canonical SMILES for 2-hydroperoxyiminoacetamide is NC(=O)C=NOO.
What is the InChIKey of 2-hydroperoxyiminoacetamide?
The InChIKey is WFMYTLQYEQSLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N2O3/c3-2(5)1-4-7-6/h1,6H,(H2,3,5).
What are the key properties of 2-hydroperoxyiminoacetamide?
2-hydroperoxyiminoacetamide has a molecular weight of 104.06 g/mol, XLogP of -1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroperoxyiminoacetamide is sourced from PubChem (CID 141143472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).