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

C9H10N2O3 — CID 10679337

IUPAC2-methyl-4-oxo-6,7-dihydro-5H-pyrrolo[3,4-c]pyridine-3-carboxylic acid
SMILESCn1cc2c(c1C(=O)O)C(=O)NCC2
InChIInChI=1S/C9H10N2O3/c1-11-4-5-2-3-10-8(12)6(5)7(11)9(13)14/h4H,2-3H2,1H3,(H,10,12)(H,13,14)
InChIKeyOLQCKORDSCNMIR-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.01
Rot. Bonds1

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

2-methyl-4-oxo-6,7-dihydro-5H-pyrrolo[3,4-c]pyridine-3-carboxylic acid (PubChem CID 10679337) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-methyl-4-oxo-6,7-dihydro-5H-pyrrolo[3,4-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4-oxo-6,7-dihydro-5H-pyrrolo[3,4-c]pyridine-3-carboxylic acid
PubChem CID10679337
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name2-methyl-4-oxo-6,7-dihydro-5H-pyrrolo[3,4-c]pyridine-3-carboxylic acid
SMILESCn1cc2c(c1C(=O)O)C(=O)NCC2
InChIInChI=1S/C9H10N2O3/c1-11-4-5-2-3-10-8(12)6(5)7(11)9(13)14/h4H,2-3H2,1H3,(H,10,12)(H,13,14)
InChIKeyOLQCKORDSCNMIR-UHFFFAOYSA-N
XLogP0.01
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-oxo-6,7-dihydro-5H-pyrrolo[3,4-c]pyridine-3-carboxylic acid?
The IUPAC name of 2-methyl-4-oxo-6,7-dihydro-5H-pyrrolo[3,4-c]pyridine-3-carboxylic acid (CID 10679337) is 2-methyl-4-oxo-6,7-dihydro-5H-pyrrolo[3,4-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-4-oxo-6,7-dihydro-5H-pyrrolo[3,4-c]pyridine-3-carboxylic acid?
The canonical SMILES for 2-methyl-4-oxo-6,7-dihydro-5H-pyrrolo[3,4-c]pyridine-3-carboxylic acid is Cn1cc2c(c1C(=O)O)C(=O)NCC2.
What is the InChIKey of 2-methyl-4-oxo-6,7-dihydro-5H-pyrrolo[3,4-c]pyridine-3-carboxylic acid?
The InChIKey is OLQCKORDSCNMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-11-4-5-2-3-10-8(12)6(5)7(11)9(13)14/h4H,2-3H2,1H3,(H,10,12)(H,13,14).
What are the key properties of 2-methyl-4-oxo-6,7-dihydro-5H-pyrrolo[3,4-c]pyridine-3-carboxylic acid?
2-methyl-4-oxo-6,7-dihydro-5H-pyrrolo[3,4-c]pyridine-3-carboxylic acid has a molecular weight of 194.19 g/mol, XLogP of 0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-oxo-6,7-dihydro-5H-pyrrolo[3,4-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 10679337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).