N-oxidoacetamide

C2H4NO2- — CID 12010866

IUPACN-oxidoacetamide
SMILESCC(=O)N[O-]
InChIInChI=1S/C2H4NO2/c1-2(4)3-5/h1H3,(H-,3,4,5)/q-1
InChIKeyQIKMYTSMTWJATE-UHFFFAOYSA-N
MW74.06 g/mol
LogP-0.38
Rot. Bonds

About N-oxidoacetamide

N-oxidoacetamide (PubChem CID 12010866) has the molecular formula C2H4NO2- and a molecular weight of 74.06 g/mol. Its IUPAC name is N-oxidoacetamide.

Molecular Properties

Compound NameN-oxidoacetamide
PubChem CID12010866
Molecular FormulaC2H4NO2-
Molecular Weight74.06 g/mol
Exact Mass74.02
IUPAC NameN-oxidoacetamide
SMILESCC(=O)N[O-]
InChIInChI=1S/C2H4NO2/c1-2(4)3-5/h1H3,(H-,3,4,5)/q-1
InChIKeyQIKMYTSMTWJATE-UHFFFAOYSA-N
XLogP-0.38
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50074.06
LogP ≤ 5-0.38
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 N-oxidoacetamide?
The IUPAC name of N-oxidoacetamide (CID 12010866) is N-oxidoacetamide.
What is the SMILES notation for N-oxidoacetamide?
The canonical SMILES for N-oxidoacetamide is CC(=O)N[O-].
What is the InChIKey of N-oxidoacetamide?
The InChIKey is QIKMYTSMTWJATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4NO2/c1-2(4)3-5/h1H3,(H-,3,4,5)/q-1.
What are the key properties of N-oxidoacetamide?
N-oxidoacetamide has a molecular weight of 74.06 g/mol, XLogP of -0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-oxidoacetamide is sourced from PubChem (CID 12010866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).