3,4-dioxo-2,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid

C8H8N2O4 — CID 23104848

IUPAC3,4-dioxo-2,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid
SMILESO=C(O)C1CCc2c[nH]c(=O)c(=O)n21
InChIInChI=1S/C8H8N2O4/c11-6-7(12)10-4(3-9-6)1-2-5(10)8(13)14/h3,5H,1-2H2,(H,9,11)(H,13,14)
InChIKeyYWJAMYSKPOPJJO-UHFFFAOYSA-N
MW196.16 g/mol
LogP-0.89
Rot. Bonds1

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

3,4-dioxo-2,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid (PubChem CID 23104848) has the molecular formula C8H8N2O4 and a molecular weight of 196.16 g/mol. Its IUPAC name is 3,4-dioxo-2,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid.

Molecular Properties

Compound Name3,4-dioxo-2,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid
PubChem CID23104848
Molecular FormulaC8H8N2O4
Molecular Weight196.16 g/mol
Exact Mass196.05
IUPAC Name3,4-dioxo-2,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid
SMILESO=C(O)C1CCc2c[nH]c(=O)c(=O)n21
InChIInChI=1S/C8H8N2O4/c11-6-7(12)10-4(3-9-6)1-2-5(10)8(13)14/h3,5H,1-2H2,(H,9,11)(H,13,14)
InChIKeyYWJAMYSKPOPJJO-UHFFFAOYSA-N
XLogP-0.89
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
CID 23559871
(3S)-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
CID 59038146
1-[(Z)-3-aminoprop-2-enoyl]-5-methylidenepyrrolidine-2-carboxylic acid
CID 68186986
Ethyl 3,4-dioxo-2,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxylate
CID 68950933
3-(ethylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxylic acid
CID 69654696
1-Chloro-3,4-dioxo-2,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid
CID 91273537
(6S)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxylic acid
CID 129164434
1-[(Z)-3,4-diaminobut-3-enoyl]pyrrolidine-2-carboxylic acid
CID 165140794
4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxylic acid
CID 176291012
(3R,6R)-6-acetamido-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylic acid
CID 10490098
(3S,6S)-6-acetamido-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylic acid
CID 10705077
6-acetamido-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylic acid
CID 10847517

Frequently Asked Questions

What is the IUPAC name of 3,4-dioxo-2,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid?
The IUPAC name of 3,4-dioxo-2,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid (CID 23104848) is 3,4-dioxo-2,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid.
What is the SMILES notation for 3,4-dioxo-2,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid?
The canonical SMILES for 3,4-dioxo-2,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid is O=C(O)C1CCc2c[nH]c(=O)c(=O)n21.
What is the InChIKey of 3,4-dioxo-2,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid?
The InChIKey is YWJAMYSKPOPJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4/c11-6-7(12)10-4(3-9-6)1-2-5(10)8(13)14/h3,5H,1-2H2,(H,9,11)(H,13,14).
What are the key properties of 3,4-dioxo-2,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid?
3,4-dioxo-2,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid has a molecular weight of 196.16 g/mol, XLogP of -0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dioxo-2,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid is sourced from PubChem (CID 23104848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).