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

C10H12N2O4 — CID 58009752

IUPAC8-methoxy-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid
SMILESCOc1c(C(=O)O)cn2c1C(=O)N(C)CC2
InChIInChI=1S/C10H12N2O4/c1-11-3-4-12-5-6(10(14)15)8(16-2)7(12)9(11)13/h5H,3-4H2,1-2H3,(H,14,15)
InChIKeyFKMYVGIIUOVDJR-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.28
Rot. Bonds2

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

8-methoxy-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid (PubChem CID 58009752) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 8-methoxy-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name8-methoxy-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid
PubChem CID58009752
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name8-methoxy-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid
SMILESCOc1c(C(=O)O)cn2c1C(=O)N(C)CC2
InChIInChI=1S/C10H12N2O4/c1-11-3-4-12-5-6(10(14)15)8(16-2)7(12)9(11)13/h5H,3-4H2,1-2H3,(H,14,15)
InChIKeyFKMYVGIIUOVDJR-UHFFFAOYSA-N
XLogP0.28
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid?
The IUPAC name of 8-methoxy-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid (CID 58009752) is 8-methoxy-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid.
What is the SMILES notation for 8-methoxy-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid?
The canonical SMILES for 8-methoxy-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid is COc1c(C(=O)O)cn2c1C(=O)N(C)CC2.
What is the InChIKey of 8-methoxy-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid?
The InChIKey is FKMYVGIIUOVDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-11-3-4-12-5-6(10(14)15)8(16-2)7(12)9(11)13/h5H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 8-methoxy-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid?
8-methoxy-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid is sourced from PubChem (CID 58009752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).