2-oxoacetaldehyde

C2HO2+ — CID 71775098

IUPAC2-oxoacetaldehyde
SMILESO=[C+]C=O
InChIInChI=1S/C2HO2/c3-1-2-4/h1H/q+1
InChIKeySGVUZVVCOWDUMC-UHFFFAOYSA-N
MW57.03 g/mol
LogP-0.70
Rot. Bonds1

About 2-oxoacetaldehyde

2-oxoacetaldehyde (PubChem CID 71775098) has the molecular formula C2HO2+ and a molecular weight of 57.03 g/mol. Its IUPAC name is 2-oxoacetaldehyde.

Molecular Properties

Compound Name2-oxoacetaldehyde
PubChem CID71775098
Molecular FormulaC2HO2+
Molecular Weight57.03 g/mol
Exact Mass57.00
IUPAC Name2-oxoacetaldehyde
SMILESO=[C+]C=O
InChIInChI=1S/C2HO2/c3-1-2-4/h1H/q+1
InChIKeySGVUZVVCOWDUMC-UHFFFAOYSA-N
XLogP-0.70
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50057.03
LogP ≤ 5-0.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-oxoacetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-oxoacetaldehyde?
The IUPAC name of 2-oxoacetaldehyde (CID 71775098) is 2-oxoacetaldehyde.
What is the SMILES notation for 2-oxoacetaldehyde?
The canonical SMILES for 2-oxoacetaldehyde is O=[C+]C=O.
What is the InChIKey of 2-oxoacetaldehyde?
The InChIKey is SGVUZVVCOWDUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HO2/c3-1-2-4/h1H/q+1.
What are the key properties of 2-oxoacetaldehyde?
2-oxoacetaldehyde has a molecular weight of 57.03 g/mol, XLogP of -0.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxoacetaldehyde is sourced from PubChem (CID 71775098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).