8-methoxy-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-7-carboxylic acid

C9H10N2O4 — CID 123623589

IUPAC8-methoxy-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-7-carboxylic acid
SMILESCOc1c(C(=O)O)cn2c1C(=O)NCC2
InChIInChI=1S/C9H10N2O4/c1-15-7-5(9(13)14)4-11-3-2-10-8(12)6(7)11/h4H,2-3H2,1H3,(H,10,12)(H,13,14)
InChIKeySFGLFFHYFRBSPE-UHFFFAOYSA-N
MW210.19 g/mol
LogP-0.06
Rot. Bonds2

About 8-methoxy-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-7-carboxylic acid

8-methoxy-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-7-carboxylic acid (PubChem CID 123623589) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 8-methoxy-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name8-methoxy-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-7-carboxylic acid
PubChem CID123623589
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name8-methoxy-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-7-carboxylic acid
SMILESCOc1c(C(=O)O)cn2c1C(=O)NCC2
InChIInChI=1S/C9H10N2O4/c1-15-7-5(9(13)14)4-11-3-2-10-8(12)6(7)11/h4H,2-3H2,1H3,(H,10,12)(H,13,14)
InChIKeySFGLFFHYFRBSPE-UHFFFAOYSA-N
XLogP-0.06
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
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
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
Diethyl 3-methoxy-1H-pyrrole-2,4-dicarboxylate
CID 12985910
Methyl 2-[(4-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate
CID 59750508
methyl 7-hydroxy-6-methyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-8-carboxylate
CID 101896539
1-Amino-3-methoxypyrrole-2,4-dicarboxylic acid
CID 21945755
1-Benzyl-3-methoxypyrrole-2,4-dicarboxylic acid
CID 21945819
3-methoxy-1H-pyrrole-2,4-dicarboxylic acid
CID 21945880

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-7-carboxylic acid?
The IUPAC name of 8-methoxy-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-7-carboxylic acid (CID 123623589) is 8-methoxy-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-7-carboxylic acid.
What is the SMILES notation for 8-methoxy-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-7-carboxylic acid?
The canonical SMILES for 8-methoxy-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-7-carboxylic acid is COc1c(C(=O)O)cn2c1C(=O)NCC2.
What is the InChIKey of 8-methoxy-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-7-carboxylic acid?
The InChIKey is SFGLFFHYFRBSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-15-7-5(9(13)14)4-11-3-2-10-8(12)6(7)11/h4H,2-3H2,1H3,(H,10,12)(H,13,14).
What are the key properties of 8-methoxy-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-7-carboxylic acid?
8-methoxy-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-7-carboxylic acid has a molecular weight of 210.19 g/mol, XLogP of -0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-7-carboxylic acid is sourced from PubChem (CID 123623589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).