N-oxido-2-oxopropanamide

C3H4NO3- — CID 148548106

IUPACN-oxido-2-oxopropanamide
SMILESCC(=O)C(=O)N[O-]
InChIInChI=1S/C3H4NO3/c1-2(5)3(6)4-7/h1H3,(H-,4,5,6,7)/q-1
InChIKeyKGMBXJATJIQOPQ-UHFFFAOYSA-N
MW102.07 g/mol
LogP-0.81
Rot. Bonds1

About N-oxido-2-oxopropanamide

N-oxido-2-oxopropanamide (PubChem CID 148548106) has the molecular formula C3H4NO3- and a molecular weight of 102.07 g/mol. Its IUPAC name is N-oxido-2-oxopropanamide.

Molecular Properties

Compound NameN-oxido-2-oxopropanamide
PubChem CID148548106
Molecular FormulaC3H4NO3-
Molecular Weight102.07 g/mol
Exact Mass102.02
IUPAC NameN-oxido-2-oxopropanamide
SMILESCC(=O)C(=O)N[O-]
InChIInChI=1S/C3H4NO3/c1-2(5)3(6)4-7/h1H3,(H-,4,5,6,7)/q-1
InChIKeyKGMBXJATJIQOPQ-UHFFFAOYSA-N
XLogP-0.81
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.07
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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cesium 2-oxopropanoate
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zinc;2-oxopropanoate;trihydrate
CID 18364061
calcium;2-oxopropanoate;trihydrate
CID 18324280
N-(2-methylbutan-2-yl)-2-oxopropanamide
CID 23336246
acetic acid;λ2-stannane;dihydrochloride
CID 175548694
bis(titanium(2+));tetraacetate
CID 18459511
CID 87243144
CID 87243144

Frequently Asked Questions

What is the IUPAC name of N-oxido-2-oxopropanamide?
The IUPAC name of N-oxido-2-oxopropanamide (CID 148548106) is N-oxido-2-oxopropanamide.
What is the SMILES notation for N-oxido-2-oxopropanamide?
The canonical SMILES for N-oxido-2-oxopropanamide is CC(=O)C(=O)N[O-].
What is the InChIKey of N-oxido-2-oxopropanamide?
The InChIKey is KGMBXJATJIQOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4NO3/c1-2(5)3(6)4-7/h1H3,(H-,4,5,6,7)/q-1.
What are the key properties of N-oxido-2-oxopropanamide?
N-oxido-2-oxopropanamide has a molecular weight of 102.07 g/mol, XLogP of -0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-oxido-2-oxopropanamide is sourced from PubChem (CID 148548106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).