2,3-dioxo-1H-indole-5-carboxylic acid

C9H5NO4 — CID 3265762

IUPAC2,3-dioxo-1H-indole-5-carboxylic acid
SMILESO=C1Nc2ccc(C(=O)O)cc2C1=O
InChIInChI=1S/C9H5NO4/c11-7-5-3-4(9(13)14)1-2-6(5)10-8(7)12/h1-3H,(H,13,14)(H,10,11,12)
InChIKeySNPPWTIGLNZFRF-UHFFFAOYSA-N
MW191.14 g/mol
LogP0.52
Rot. Bonds1

About 2,3-dioxo-1H-indole-5-carboxylic acid

2,3-dioxo-1H-indole-5-carboxylic acid (PubChem CID 3265762) has the molecular formula C9H5NO4 and a molecular weight of 191.14 g/mol. Its IUPAC name is 2,3-dioxo-1H-indole-5-carboxylic acid.

Molecular Properties

Compound Name2,3-dioxo-1H-indole-5-carboxylic acid
PubChem CID3265762
Molecular FormulaC9H5NO4
Molecular Weight191.14 g/mol
Exact Mass191.02
IUPAC Name2,3-dioxo-1H-indole-5-carboxylic acid
SMILESO=C1Nc2ccc(C(=O)O)cc2C1=O
InChIInChI=1S/C9H5NO4/c11-7-5-3-4(9(13)14)1-2-6(5)10-8(7)12/h1-3H,(H,13,14)(H,10,11,12)
InChIKeySNPPWTIGLNZFRF-UHFFFAOYSA-N
XLogP0.52
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.14
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dioxo-1H-indole-5-carboxylic acid?
The IUPAC name of 2,3-dioxo-1H-indole-5-carboxylic acid (CID 3265762) is 2,3-dioxo-1H-indole-5-carboxylic acid.
What is the SMILES notation for 2,3-dioxo-1H-indole-5-carboxylic acid?
The canonical SMILES for 2,3-dioxo-1H-indole-5-carboxylic acid is O=C1Nc2ccc(C(=O)O)cc2C1=O.
What is the InChIKey of 2,3-dioxo-1H-indole-5-carboxylic acid?
The InChIKey is SNPPWTIGLNZFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5NO4/c11-7-5-3-4(9(13)14)1-2-6(5)10-8(7)12/h1-3H,(H,13,14)(H,10,11,12).
What are the key properties of 2,3-dioxo-1H-indole-5-carboxylic acid?
2,3-dioxo-1H-indole-5-carboxylic acid has a molecular weight of 191.14 g/mol, XLogP of 0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dioxo-1H-indole-5-carboxylic acid is sourced from PubChem (CID 3265762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).