2-oxo-1,3-dihydroindole-4-carboxylic acid

C9H7NO3 — CID 10397329

IUPAC2-oxo-1,3-dihydroindole-4-carboxylic acid
SMILESO=C1Cc2c(cccc2C(=O)O)N1
InChIInChI=1S/C9H7NO3/c11-8-4-6-5(9(12)13)2-1-3-7(6)10-8/h1-3H,4H2,(H,10,11)(H,12,13)
InChIKeyALXJUSWINGKGAW-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.88
Rot. Bonds1

About 2-oxo-1,3-dihydroindole-4-carboxylic acid

2-oxo-1,3-dihydroindole-4-carboxylic acid (PubChem CID 10397329) has the molecular formula C9H7NO3 and a molecular weight of 177.16 g/mol. Its IUPAC name is 2-oxo-1,3-dihydroindole-4-carboxylic acid.

Molecular Properties

Compound Name2-oxo-1,3-dihydroindole-4-carboxylic acid
PubChem CID10397329
Molecular FormulaC9H7NO3
Molecular Weight177.16 g/mol
Exact Mass177.04
IUPAC Name2-oxo-1,3-dihydroindole-4-carboxylic acid
SMILESO=C1Cc2c(cccc2C(=O)O)N1
InChIInChI=1S/C9H7NO3/c11-8-4-6-5(9(12)13)2-1-3-7(6)10-8/h1-3H,4H2,(H,10,11)(H,12,13)
InChIKeyALXJUSWINGKGAW-UHFFFAOYSA-N
XLogP0.88
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1,3-dihydroindole-4-carboxylic acid?
The IUPAC name of 2-oxo-1,3-dihydroindole-4-carboxylic acid (CID 10397329) is 2-oxo-1,3-dihydroindole-4-carboxylic acid.
What is the SMILES notation for 2-oxo-1,3-dihydroindole-4-carboxylic acid?
The canonical SMILES for 2-oxo-1,3-dihydroindole-4-carboxylic acid is O=C1Cc2c(cccc2C(=O)O)N1.
What is the InChIKey of 2-oxo-1,3-dihydroindole-4-carboxylic acid?
The InChIKey is ALXJUSWINGKGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3/c11-8-4-6-5(9(12)13)2-1-3-7(6)10-8/h1-3H,4H2,(H,10,11)(H,12,13).
What are the key properties of 2-oxo-1,3-dihydroindole-4-carboxylic acid?
2-oxo-1,3-dihydroindole-4-carboxylic acid has a molecular weight of 177.16 g/mol, XLogP of 0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1,3-dihydroindole-4-carboxylic acid is sourced from PubChem (CID 10397329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).