5-methyl-4-oxo-6,7-dihydro-2H-pyrrolo[3,4-c]pyridine-3-carboxylic acid

C9H10N2O3 — CID 10726460

IUPAC5-methyl-4-oxo-6,7-dihydro-2H-pyrrolo[3,4-c]pyridine-3-carboxylic acid
SMILESCN1CCc2c[nH]c(C(=O)O)c2C1=O
InChIInChI=1S/C9H10N2O3/c1-11-3-2-5-4-10-7(9(13)14)6(5)8(11)12/h4,10H,2-3H2,1H3,(H,13,14)
InChIKeyPTBJVLGXDFOMFM-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.34
Rot. Bonds1

About 5-methyl-4-oxo-6,7-dihydro-2H-pyrrolo[3,4-c]pyridine-3-carboxylic acid

5-methyl-4-oxo-6,7-dihydro-2H-pyrrolo[3,4-c]pyridine-3-carboxylic acid (PubChem CID 10726460) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 5-methyl-4-oxo-6,7-dihydro-2H-pyrrolo[3,4-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-oxo-6,7-dihydro-2H-pyrrolo[3,4-c]pyridine-3-carboxylic acid
PubChem CID10726460
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name5-methyl-4-oxo-6,7-dihydro-2H-pyrrolo[3,4-c]pyridine-3-carboxylic acid
SMILESCN1CCc2c[nH]c(C(=O)O)c2C1=O
InChIInChI=1S/C9H10N2O3/c1-11-3-2-5-4-10-7(9(13)14)6(5)8(11)12/h4,10H,2-3H2,1H3,(H,13,14)
InChIKeyPTBJVLGXDFOMFM-UHFFFAOYSA-N
XLogP0.34
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-oxo-6,7-dihydro-2H-pyrrolo[3,4-c]pyridine-3-carboxylic acid?
The IUPAC name of 5-methyl-4-oxo-6,7-dihydro-2H-pyrrolo[3,4-c]pyridine-3-carboxylic acid (CID 10726460) is 5-methyl-4-oxo-6,7-dihydro-2H-pyrrolo[3,4-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-4-oxo-6,7-dihydro-2H-pyrrolo[3,4-c]pyridine-3-carboxylic acid?
The canonical SMILES for 5-methyl-4-oxo-6,7-dihydro-2H-pyrrolo[3,4-c]pyridine-3-carboxylic acid is CN1CCc2c[nH]c(C(=O)O)c2C1=O.
What is the InChIKey of 5-methyl-4-oxo-6,7-dihydro-2H-pyrrolo[3,4-c]pyridine-3-carboxylic acid?
The InChIKey is PTBJVLGXDFOMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-11-3-2-5-4-10-7(9(13)14)6(5)8(11)12/h4,10H,2-3H2,1H3,(H,13,14).
What are the key properties of 5-methyl-4-oxo-6,7-dihydro-2H-pyrrolo[3,4-c]pyridine-3-carboxylic acid?
5-methyl-4-oxo-6,7-dihydro-2H-pyrrolo[3,4-c]pyridine-3-carboxylic acid has a molecular weight of 194.19 g/mol, XLogP of 0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-oxo-6,7-dihydro-2H-pyrrolo[3,4-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 10726460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).