2-ethyl-8-methoxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid

C11H14N2O4 — CID 123231567

IUPAC2-ethyl-8-methoxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid
SMILESCCN1CCn2cc(C(=O)O)c(OC)c2C1=O
InChIInChI=1S/C11H14N2O4/c1-3-12-4-5-13-6-7(11(15)16)9(17-2)8(13)10(12)14/h6H,3-5H2,1-2H3,(H,15,16)
InChIKeyJDUFRRIWROMUJG-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.67
Rot. Bonds3

About 2-ethyl-8-methoxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid

2-ethyl-8-methoxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid (PubChem CID 123231567) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-ethyl-8-methoxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-8-methoxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid
PubChem CID123231567
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-ethyl-8-methoxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid
SMILESCCN1CCn2cc(C(=O)O)c(OC)c2C1=O
InChIInChI=1S/C11H14N2O4/c1-3-12-4-5-13-6-7(11(15)16)9(17-2)8(13)10(12)14/h6H,3-5H2,1-2H3,(H,15,16)
InChIKeyJDUFRRIWROMUJG-UHFFFAOYSA-N
XLogP0.67
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-benzyl-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate
CID 3011066
2-Benzyl-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid
CID 3011067
Ethyl 2-[(4-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate
CID 3011068
Ethyl 2-[(3-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate
CID 3011076
2-[(4-Fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid
CID 3011069
Ethyl 2-[(3,4-difluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate
CID 3011077
diethyl 3-hydroxy-1-methyl-1H-pyrrole-2,4-dicarboxylate
CID 54675984
Methyl 2-[(4-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate
CID 59750508
Ethyl 8-(benzyloxy)-2-(4-fluorobenzyl)-1-oxo-1,2,3,4-tetrahydro-pyrrolo[1,2-a]-pyrazine-7-carboxylate
CID 68864638
3-Ethyl-2-[(4-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid
CID 69778697
[6-(Hydroxymethyl)-5-methoxy-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]methyl 2,2-dimethylpropanoate
CID 12985916
1-Amino-3-methoxypyrrole-2,4-dicarboxylic acid
CID 21945755

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8-methoxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid?
The IUPAC name of 2-ethyl-8-methoxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid (CID 123231567) is 2-ethyl-8-methoxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid.
What is the SMILES notation for 2-ethyl-8-methoxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid?
The canonical SMILES for 2-ethyl-8-methoxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid is CCN1CCn2cc(C(=O)O)c(OC)c2C1=O.
What is the InChIKey of 2-ethyl-8-methoxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid?
The InChIKey is JDUFRRIWROMUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-3-12-4-5-13-6-7(11(15)16)9(17-2)8(13)10(12)14/h6H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 2-ethyl-8-methoxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid?
2-ethyl-8-methoxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-8-methoxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid is sourced from PubChem (CID 123231567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).