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

C9H10N2O3 — CID 86820453

IUPAC2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxylic acid
SMILESCN1C(=O)c2cccn2CC1C(=O)O
InChIInChI=1S/C9H10N2O3/c1-10-7(9(13)14)5-11-4-2-3-6(11)8(10)12/h2-4,7H,5H2,1H3,(H,13,14)
InChIKeyDJVNLVUZCLJWGB-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.03
Rot. Bonds1

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

2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxylic acid (PubChem CID 86820453) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxylic acid
PubChem CID86820453
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxylic acid
SMILESCN1C(=O)c2cccn2CC1C(=O)O
InChIInChI=1S/C9H10N2O3/c1-10-7(9(13)14)5-11-4-2-3-6(11)8(10)12/h2-4,7H,5H2,1H3,(H,13,14)
InChIKeyDJVNLVUZCLJWGB-UHFFFAOYSA-N
XLogP0.03
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxylic acid?
The IUPAC name of 2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxylic acid (CID 86820453) is 2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxylic acid?
The canonical SMILES for 2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxylic acid is CN1C(=O)c2cccn2CC1C(=O)O.
What is the InChIKey of 2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxylic acid?
The InChIKey is DJVNLVUZCLJWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-10-7(9(13)14)5-11-4-2-3-6(11)8(10)12/h2-4,7H,5H2,1H3,(H,13,14).
What are the key properties of 2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxylic acid?
2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxylic acid has a molecular weight of 194.19 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxylic acid is sourced from PubChem (CID 86820453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).