methyl 2-oxo-1H-imidazole-3-carboxylate

C5H6N2O3 — CID 21453203

IUPACmethyl 2-oxo-1H-imidazole-3-carboxylate
SMILESCOC(=O)n1cc[nH]c1=O
InChIInChI=1S/C5H6N2O3/c1-10-5(9)7-3-2-6-4(7)8/h2-3H,1H3,(H,6,8)
InChIKeyLBZAXJBCPJAUJS-UHFFFAOYSA-N
MW142.11 g/mol
LogP-0.21
Rot. Bonds

About methyl 2-oxo-1H-imidazole-3-carboxylate

methyl 2-oxo-1H-imidazole-3-carboxylate (PubChem CID 21453203) has the molecular formula C5H6N2O3 and a molecular weight of 142.11 g/mol. Its IUPAC name is methyl 2-oxo-1H-imidazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxo-1H-imidazole-3-carboxylate
PubChem CID21453203
Molecular FormulaC5H6N2O3
Molecular Weight142.11 g/mol
Exact Mass142.04
IUPAC Namemethyl 2-oxo-1H-imidazole-3-carboxylate
SMILESCOC(=O)n1cc[nH]c1=O
InChIInChI=1S/C5H6N2O3/c1-10-5(9)7-3-2-6-4(7)8/h2-3H,1H3,(H,6,8)
InChIKeyLBZAXJBCPJAUJS-UHFFFAOYSA-N
XLogP-0.21
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-1H-imidazole-3-carboxylate?
The IUPAC name of methyl 2-oxo-1H-imidazole-3-carboxylate (CID 21453203) is methyl 2-oxo-1H-imidazole-3-carboxylate.
What is the SMILES notation for methyl 2-oxo-1H-imidazole-3-carboxylate?
The canonical SMILES for methyl 2-oxo-1H-imidazole-3-carboxylate is COC(=O)n1cc[nH]c1=O.
What is the InChIKey of methyl 2-oxo-1H-imidazole-3-carboxylate?
The InChIKey is LBZAXJBCPJAUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3/c1-10-5(9)7-3-2-6-4(7)8/h2-3H,1H3,(H,6,8).
What are the key properties of methyl 2-oxo-1H-imidazole-3-carboxylate?
methyl 2-oxo-1H-imidazole-3-carboxylate has a molecular weight of 142.11 g/mol, XLogP of -0.21, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-1H-imidazole-3-carboxylate is sourced from PubChem (CID 21453203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).