2-oxoethylideneoxidanium

C2H3O2+ — CID 59083781

IUPAC2-oxoethylideneoxidanium
SMILES[H]/[O+]=C/C=O
InChIInChI=1S/C2H2O2/c3-1-2-4/h1-2H/p+1
InChIKeyLEQAOMBKQFMDFZ-UHFFFAOYSA-O
MW59.04 g/mol
LogP-0.64
Rot. Bonds1

About 2-oxoethylideneoxidanium

2-oxoethylideneoxidanium (PubChem CID 59083781) has the molecular formula C2H3O2+ and a molecular weight of 59.04 g/mol. Its IUPAC name is 2-oxoethylideneoxidanium.

Molecular Properties

Compound Name2-oxoethylideneoxidanium
PubChem CID59083781
Molecular FormulaC2H3O2+
Molecular Weight59.04 g/mol
Exact Mass59.01
IUPAC Name2-oxoethylideneoxidanium
SMILES[H]/[O+]=C/C=O
InChIInChI=1S/C2H2O2/c3-1-2-4/h1-2H/p+1
InChIKeyLEQAOMBKQFMDFZ-UHFFFAOYSA-O
XLogP-0.64
TPSA38.47 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50059.04
LogP ≤ 5-0.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

Glyoxal
CID 7860
Di-deuteroglyoxal
CID 12215931
Glyoxal hydrate
CID 21880647
Glyoxal-d
CID 101264834
2-Oxoniumylideneethylideneoxidanium
CID 162393511
2-Oxoacetaldehyde
CID 71775098
Sodium;oxaldehyde;hydroxide
CID 19869295
CID 101264835
CID 101264835
Hydron;oxaldehyde
CID 175541636

Frequently Asked Questions

What is the IUPAC name of 2-oxoethylideneoxidanium?
The IUPAC name of 2-oxoethylideneoxidanium (CID 59083781) is 2-oxoethylideneoxidanium.
What is the SMILES notation for 2-oxoethylideneoxidanium?
The canonical SMILES for 2-oxoethylideneoxidanium is [H]/[O+]=C/C=O.
What is the InChIKey of 2-oxoethylideneoxidanium?
The InChIKey is LEQAOMBKQFMDFZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H2O2/c3-1-2-4/h1-2H/p+1.
What are the key properties of 2-oxoethylideneoxidanium?
2-oxoethylideneoxidanium has a molecular weight of 59.04 g/mol, XLogP of -0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxoethylideneoxidanium is sourced from PubChem (CID 59083781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).