2-oxoacetamide;hydrate

C2H5NO3 — CID 141167907

IUPAC2-oxoacetamide;hydrate
SMILESNC(=O)C=O.O
InChIInChI=1S/C2H3NO2.H2O/c3-2(5)1-4;/h1H,(H2,3,5);1H2
InChIKeyCTZFGDYKOLCDQU-UHFFFAOYSA-N
MW91.07 g/mol
LogP-2.15
Rot. Bonds1

About 2-oxoacetamide;hydrate

2-oxoacetamide;hydrate (PubChem CID 141167907) has the molecular formula C2H5NO3 and a molecular weight of 91.07 g/mol. Its IUPAC name is 2-oxoacetamide;hydrate.

Molecular Properties

Compound Name2-oxoacetamide;hydrate
PubChem CID141167907
Molecular FormulaC2H5NO3
Molecular Weight91.07 g/mol
Exact Mass91.03
IUPAC Name2-oxoacetamide;hydrate
SMILESNC(=O)C=O.O
InChIInChI=1S/C2H3NO2.H2O/c3-2(5)1-4;/h1H,(H2,3,5);1H2
InChIKeyCTZFGDYKOLCDQU-UHFFFAOYSA-N
XLogP-2.15
TPSA91.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.07
LogP ≤ 5-2.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxoacetamide;hydrate?
The IUPAC name of 2-oxoacetamide;hydrate (CID 141167907) is 2-oxoacetamide;hydrate.
What is the SMILES notation for 2-oxoacetamide;hydrate?
The canonical SMILES for 2-oxoacetamide;hydrate is NC(=O)C=O.O.
What is the InChIKey of 2-oxoacetamide;hydrate?
The InChIKey is CTZFGDYKOLCDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3NO2.H2O/c3-2(5)1-4;/h1H,(H2,3,5);1H2.
What are the key properties of 2-oxoacetamide;hydrate?
2-oxoacetamide;hydrate has a molecular weight of 91.07 g/mol, XLogP of -2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxoacetamide;hydrate is sourced from PubChem (CID 141167907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).