ethyl 2-(5-formyl-2,3-dioxo-1H-pyrazin-4-yl)acetate

C9H10N2O5 — CID 11053340

IUPACethyl 2-(5-formyl-2,3-dioxo-1H-pyrazin-4-yl)acetate
SMILESCCOC(=O)Cn1c(C=O)c[nH]c(=O)c1=O
InChIInChI=1S/C9H10N2O5/c1-2-16-7(13)4-11-6(5-12)3-10-8(14)9(11)15/h3,5H,2,4H2,1H3,(H,10,14)
InChIKeyNKWKDZHNIWEITB-UHFFFAOYSA-N
MW226.19 g/mol
LogP-1.09
Rot. Bonds4

About ethyl 2-(5-formyl-2,3-dioxo-1H-pyrazin-4-yl)acetate

ethyl 2-(5-formyl-2,3-dioxo-1H-pyrazin-4-yl)acetate (PubChem CID 11053340) has the molecular formula C9H10N2O5 and a molecular weight of 226.19 g/mol. Its IUPAC name is ethyl 2-(5-formyl-2,3-dioxo-1H-pyrazin-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-formyl-2,3-dioxo-1H-pyrazin-4-yl)acetate
PubChem CID11053340
Molecular FormulaC9H10N2O5
Molecular Weight226.19 g/mol
Exact Mass226.06
IUPAC Nameethyl 2-(5-formyl-2,3-dioxo-1H-pyrazin-4-yl)acetate
SMILESCCOC(=O)Cn1c(C=O)c[nH]c(=O)c1=O
InChIInChI=1S/C9H10N2O5/c1-2-16-7(13)4-11-6(5-12)3-10-8(14)9(11)15/h3,5H,2,4H2,1H3,(H,10,14)
InChIKeyNKWKDZHNIWEITB-UHFFFAOYSA-N
XLogP-1.09
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(5-methyl-2,3-dioxo-1H-pyrazin-4-yl)acetate
CID 10198231
ethyl 2-(2,5-dimethylpyrrol-1-yl)acetate
CID 12894114
ethyl 2-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)acetate
CID 63799209
ethyl 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)acetate
CID 63800101
ethyl 2-(2,3-dioxo-1H-benzo[f]quinoxalin-4-yl)acetate
CID 67641154
ethyl 2-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)acetate
CID 55240716
ethyl 2-[5-formyl-2,3-bis(4-methoxyphenyl)pyrrol-1-yl]acetate
CID 129267334
ethyl 2-(3-hydroxy-2-oxobenzimidazol-1-yl)acetate
CID 121354507
ethyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
CID 47149271
ethyl 2-(2,4-dioxo-3-prop-2-enylquinazolin-1-yl)acetate
CID 97035556
ethyl 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)acetate
CID 703754
ethyl 2-[3-(2-aminoethyl)-2,4-dioxoquinazolin-1-yl]acetate
CID 139690708

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-formyl-2,3-dioxo-1H-pyrazin-4-yl)acetate?
The IUPAC name of ethyl 2-(5-formyl-2,3-dioxo-1H-pyrazin-4-yl)acetate (CID 11053340) is ethyl 2-(5-formyl-2,3-dioxo-1H-pyrazin-4-yl)acetate.
What is the SMILES notation for ethyl 2-(5-formyl-2,3-dioxo-1H-pyrazin-4-yl)acetate?
The canonical SMILES for ethyl 2-(5-formyl-2,3-dioxo-1H-pyrazin-4-yl)acetate is CCOC(=O)Cn1c(C=O)c[nH]c(=O)c1=O.
What is the InChIKey of ethyl 2-(5-formyl-2,3-dioxo-1H-pyrazin-4-yl)acetate?
The InChIKey is NKWKDZHNIWEITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O5/c1-2-16-7(13)4-11-6(5-12)3-10-8(14)9(11)15/h3,5H,2,4H2,1H3,(H,10,14).
What are the key properties of ethyl 2-(5-formyl-2,3-dioxo-1H-pyrazin-4-yl)acetate?
ethyl 2-(5-formyl-2,3-dioxo-1H-pyrazin-4-yl)acetate has a molecular weight of 226.19 g/mol, XLogP of -1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-formyl-2,3-dioxo-1H-pyrazin-4-yl)acetate is sourced from PubChem (CID 11053340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).