ethyl 3,4-dioxo-2,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxylate

C10H12N2O4 — CID 68950933

IUPACethyl 3,4-dioxo-2,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxylate
SMILESCCOC(=O)C1CCc2c[nH]c(=O)c(=O)n21
InChIInChI=1S/C10H12N2O4/c1-2-16-10(15)7-4-3-6-5-11-8(13)9(14)12(6)7/h5,7H,2-4H2,1H3,(H,11,13)
InChIKeyACHUCDGISLICFY-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.41
Rot. Bonds2

About ethyl 3,4-dioxo-2,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxylate

ethyl 3,4-dioxo-2,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxylate (PubChem CID 68950933) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is ethyl 3,4-dioxo-2,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxylate.

Molecular Properties

Compound Nameethyl 3,4-dioxo-2,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxylate
PubChem CID68950933
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Nameethyl 3,4-dioxo-2,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxylate
SMILESCCOC(=O)C1CCc2c[nH]c(=O)c(=O)n21
InChIInChI=1S/C10H12N2O4/c1-2-16-10(15)7-4-3-6-5-11-8(13)9(14)12(6)7/h5,7H,2-4H2,1H3,(H,11,13)
InChIKeyACHUCDGISLICFY-UHFFFAOYSA-N
XLogP-0.41
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 3,4-dioxo-2,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxylate?
The IUPAC name of ethyl 3,4-dioxo-2,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxylate (CID 68950933) is ethyl 3,4-dioxo-2,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxylate.
What is the SMILES notation for ethyl 3,4-dioxo-2,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxylate?
The canonical SMILES for ethyl 3,4-dioxo-2,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxylate is CCOC(=O)C1CCc2c[nH]c(=O)c(=O)n21.
What is the InChIKey of ethyl 3,4-dioxo-2,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxylate?
The InChIKey is ACHUCDGISLICFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-2-16-10(15)7-4-3-6-5-11-8(13)9(14)12(6)7/h5,7H,2-4H2,1H3,(H,11,13).
What are the key properties of ethyl 3,4-dioxo-2,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxylate?
ethyl 3,4-dioxo-2,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxylate has a molecular weight of 224.22 g/mol, XLogP of -0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,4-dioxo-2,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxylate is sourced from PubChem (CID 68950933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).