ethyl 5-methyl-2-oxo-1H-imidazole-3-carboxylate

C7H10N2O3 — CID 54363943

IUPACethyl 5-methyl-2-oxo-1H-imidazole-3-carboxylate
SMILESCCOC(=O)n1cc(C)[nH]c1=O
InChIInChI=1S/C7H10N2O3/c1-3-12-7(11)9-4-5(2)8-6(9)10/h4H,3H2,1-2H3,(H,8,10)
InChIKeyUOLHHYDECGCLKX-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.49
Rot. Bonds1

About ethyl 5-methyl-2-oxo-1H-imidazole-3-carboxylate

ethyl 5-methyl-2-oxo-1H-imidazole-3-carboxylate (PubChem CID 54363943) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is ethyl 5-methyl-2-oxo-1H-imidazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-oxo-1H-imidazole-3-carboxylate
PubChem CID54363943
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Nameethyl 5-methyl-2-oxo-1H-imidazole-3-carboxylate
SMILESCCOC(=O)n1cc(C)[nH]c1=O
InChIInChI=1S/C7H10N2O3/c1-3-12-7(11)9-4-5(2)8-6(9)10/h4H,3H2,1-2H3,(H,8,10)
InChIKeyUOLHHYDECGCLKX-UHFFFAOYSA-N
XLogP0.49
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-oxo-1H-imidazole-3-carboxylate?
The IUPAC name of ethyl 5-methyl-2-oxo-1H-imidazole-3-carboxylate (CID 54363943) is ethyl 5-methyl-2-oxo-1H-imidazole-3-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-oxo-1H-imidazole-3-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-oxo-1H-imidazole-3-carboxylate is CCOC(=O)n1cc(C)[nH]c1=O.
What is the InChIKey of ethyl 5-methyl-2-oxo-1H-imidazole-3-carboxylate?
The InChIKey is UOLHHYDECGCLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-3-12-7(11)9-4-5(2)8-6(9)10/h4H,3H2,1-2H3,(H,8,10).
What are the key properties of ethyl 5-methyl-2-oxo-1H-imidazole-3-carboxylate?
ethyl 5-methyl-2-oxo-1H-imidazole-3-carboxylate has a molecular weight of 170.17 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-oxo-1H-imidazole-3-carboxylate is sourced from PubChem (CID 54363943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).