ethyl 3-oxo-4H-furo[2,3-b]pyrazine-2-carboxylate

C9H8N2O4 — CID 69219546

IUPACethyl 3-oxo-4H-furo[2,3-b]pyrazine-2-carboxylate
SMILESCCOC(=O)c1nc2ccoc2[nH]c1=O
InChIInChI=1S/C9H8N2O4/c1-2-14-9(13)6-7(12)11-8-5(10-6)3-4-15-8/h3-4H,2H2,1H3,(H,11,12)
InChIKeyVOJFTWBWEGZRMM-UHFFFAOYSA-N
MW208.17 g/mol
LogP0.69
Rot. Bonds2

About ethyl 3-oxo-4H-furo[2,3-b]pyrazine-2-carboxylate

ethyl 3-oxo-4H-furo[2,3-b]pyrazine-2-carboxylate (PubChem CID 69219546) has the molecular formula C9H8N2O4 and a molecular weight of 208.17 g/mol. Its IUPAC name is ethyl 3-oxo-4H-furo[2,3-b]pyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-oxo-4H-furo[2,3-b]pyrazine-2-carboxylate
PubChem CID69219546
Molecular FormulaC9H8N2O4
Molecular Weight208.17 g/mol
Exact Mass208.05
IUPAC Nameethyl 3-oxo-4H-furo[2,3-b]pyrazine-2-carboxylate
SMILESCCOC(=O)c1nc2ccoc2[nH]c1=O
InChIInChI=1S/C9H8N2O4/c1-2-14-9(13)6-7(12)11-8-5(10-6)3-4-15-8/h3-4H,2H2,1H3,(H,11,12)
InChIKeyVOJFTWBWEGZRMM-UHFFFAOYSA-N
XLogP0.69
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 7-methyl-3-oxo-4H-quinoxaline-2-carboxylate
CID 18008890
ethyl 7-bromo-3-oxo-4H-quinoxaline-2-carboxylate
CID 18369213
ethyl 7-oxo-8H-pteridine-6-carboxylate
CID 125448912
ethyl 6-methyl-3-oxo-4H-quinoxaline-2-carboxylate;ethyl 7-methyl-3-oxo-4H-quinoxaline-2-carboxylate
CID 123754273
ethyl 3-oxo-7-(trifluoromethyl)-4H-quinoxaline-2-carboxylate
CID 10062508
ethyl 3-(4-methylphenyl)-5-oxo-4H-1,2,4-triazine-6-carboxylate
CID 135449426
ethyl 7-bromo-6-nitro-3-oxo-4H-quinoxaline-2-carboxylate
CID 18369157
ethyl 5-hydroxy-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate
CID 136655437
ethyl 7-methoxy-8-nitro-3-oxo-4H-quinoxaline-2-carboxylate
CID 23463841
ethyl 3-oxo-4H-quinoxaline-2-carboxylate;methyl 8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate
CID 159432928
diethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404198
ethyl 5-oxo-1,2-dihydrotriazole-4-carboxylate
CID 12937514

Frequently Asked Questions

What is the IUPAC name of ethyl 3-oxo-4H-furo[2,3-b]pyrazine-2-carboxylate?
The IUPAC name of ethyl 3-oxo-4H-furo[2,3-b]pyrazine-2-carboxylate (CID 69219546) is ethyl 3-oxo-4H-furo[2,3-b]pyrazine-2-carboxylate.
What is the SMILES notation for ethyl 3-oxo-4H-furo[2,3-b]pyrazine-2-carboxylate?
The canonical SMILES for ethyl 3-oxo-4H-furo[2,3-b]pyrazine-2-carboxylate is CCOC(=O)c1nc2ccoc2[nH]c1=O.
What is the InChIKey of ethyl 3-oxo-4H-furo[2,3-b]pyrazine-2-carboxylate?
The InChIKey is VOJFTWBWEGZRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O4/c1-2-14-9(13)6-7(12)11-8-5(10-6)3-4-15-8/h3-4H,2H2,1H3,(H,11,12).
What are the key properties of ethyl 3-oxo-4H-furo[2,3-b]pyrazine-2-carboxylate?
ethyl 3-oxo-4H-furo[2,3-b]pyrazine-2-carboxylate has a molecular weight of 208.17 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-oxo-4H-furo[2,3-b]pyrazine-2-carboxylate is sourced from PubChem (CID 69219546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).