2-methylperoxyacetamide

C3H7NO3 — CID 129273207

IUPAC2-methylperoxyacetamide
SMILESCOOCC(N)=O
InChIInChI=1S/C3H7NO3/c1-6-7-2-3(4)5/h2H2,1H3,(H2,4,5)
InChIKeyWROZZKKJWQOBDQ-UHFFFAOYSA-N
MW105.09 g/mol
LogP-0.95
Rot. Bonds3

About 2-methylperoxyacetamide

2-methylperoxyacetamide (PubChem CID 129273207) has the molecular formula C3H7NO3 and a molecular weight of 105.09 g/mol. Its IUPAC name is 2-methylperoxyacetamide.

Molecular Properties

Compound Name2-methylperoxyacetamide
PubChem CID129273207
Molecular FormulaC3H7NO3
Molecular Weight105.09 g/mol
Exact Mass105.04
IUPAC Name2-methylperoxyacetamide
SMILESCOOCC(N)=O
InChIInChI=1S/C3H7NO3/c1-6-7-2-3(4)5/h2H2,1H3,(H2,4,5)
InChIKeyWROZZKKJWQOBDQ-UHFFFAOYSA-N
XLogP-0.95
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.09
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-methylperoxyacetamide?
The IUPAC name of 2-methylperoxyacetamide (CID 129273207) is 2-methylperoxyacetamide.
What is the SMILES notation for 2-methylperoxyacetamide?
The canonical SMILES for 2-methylperoxyacetamide is COOCC(N)=O.
What is the InChIKey of 2-methylperoxyacetamide?
The InChIKey is WROZZKKJWQOBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO3/c1-6-7-2-3(4)5/h2H2,1H3,(H2,4,5).
What are the key properties of 2-methylperoxyacetamide?
2-methylperoxyacetamide has a molecular weight of 105.09 g/mol, XLogP of -0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylperoxyacetamide is sourced from PubChem (CID 129273207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).