2-oxo-1H-imidazole-3-carboxylic acid

C4H4N2O3 — CID 137357923

IUPAC2-oxo-1H-imidazole-3-carboxylic acid
SMILESO=C(O)n1cc[nH]c1=O
InChIInChI=1S/C4H4N2O3/c7-3-5-1-2-6(3)4(8)9/h1-2H,(H,5,7)(H,8,9)
InChIKeyRTOHXDKOONHTNK-UHFFFAOYSA-N
MW128.09 g/mol
LogP-0.30
Rot. Bonds

About 2-oxo-1H-imidazole-3-carboxylic acid

2-oxo-1H-imidazole-3-carboxylic acid (PubChem CID 137357923) has the molecular formula C4H4N2O3 and a molecular weight of 128.09 g/mol. Its IUPAC name is 2-oxo-1H-imidazole-3-carboxylic acid.

Molecular Properties

Compound Name2-oxo-1H-imidazole-3-carboxylic acid
PubChem CID137357923
Molecular FormulaC4H4N2O3
Molecular Weight128.09 g/mol
Exact Mass128.02
IUPAC Name2-oxo-1H-imidazole-3-carboxylic acid
SMILESO=C(O)n1cc[nH]c1=O
InChIInChI=1S/C4H4N2O3/c7-3-5-1-2-6(3)4(8)9/h1-2H,(H,5,7)(H,8,9)
InChIKeyRTOHXDKOONHTNK-UHFFFAOYSA-N
XLogP-0.30
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.09
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1H-imidazole-3-carboxylic acid?
The IUPAC name of 2-oxo-1H-imidazole-3-carboxylic acid (CID 137357923) is 2-oxo-1H-imidazole-3-carboxylic acid.
What is the SMILES notation for 2-oxo-1H-imidazole-3-carboxylic acid?
The canonical SMILES for 2-oxo-1H-imidazole-3-carboxylic acid is O=C(O)n1cc[nH]c1=O.
What is the InChIKey of 2-oxo-1H-imidazole-3-carboxylic acid?
The InChIKey is RTOHXDKOONHTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O3/c7-3-5-1-2-6(3)4(8)9/h1-2H,(H,5,7)(H,8,9).
What are the key properties of 2-oxo-1H-imidazole-3-carboxylic acid?
2-oxo-1H-imidazole-3-carboxylic acid has a molecular weight of 128.09 g/mol, XLogP of -0.30, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1H-imidazole-3-carboxylic acid is sourced from PubChem (CID 137357923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).