2-oxoindole-4-carboxylic acid

C9H5NO3 — CID 53423770

IUPAC2-oxoindole-4-carboxylic acid
SMILESO=C1C=c2c(C(=O)O)cccc2=N1
InChIInChI=1S/C9H5NO3/c11-8-4-6-5(9(12)13)2-1-3-7(6)10-8/h1-4H,(H,12,13)
InChIKeyNBZNPZGVMKYJNS-UHFFFAOYSA-N
MW175.14 g/mol
LogP-0.67
Rot. Bonds1

About 2-oxoindole-4-carboxylic acid

2-oxoindole-4-carboxylic acid (PubChem CID 53423770) has the molecular formula C9H5NO3 and a molecular weight of 175.14 g/mol. Its IUPAC name is 2-oxoindole-4-carboxylic acid.

Molecular Properties

Compound Name2-oxoindole-4-carboxylic acid
PubChem CID53423770
Molecular FormulaC9H5NO3
Molecular Weight175.14 g/mol
Exact Mass175.03
IUPAC Name2-oxoindole-4-carboxylic acid
SMILESO=C1C=c2c(C(=O)O)cccc2=N1
InChIInChI=1S/C9H5NO3/c11-8-4-6-5(9(12)13)2-1-3-7(6)10-8/h1-4H,(H,12,13)
InChIKeyNBZNPZGVMKYJNS-UHFFFAOYSA-N
XLogP-0.67
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.14
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxoindole-4-carboxylic acid?
The IUPAC name of 2-oxoindole-4-carboxylic acid (CID 53423770) is 2-oxoindole-4-carboxylic acid.
What is the SMILES notation for 2-oxoindole-4-carboxylic acid?
The canonical SMILES for 2-oxoindole-4-carboxylic acid is O=C1C=c2c(C(=O)O)cccc2=N1.
What is the InChIKey of 2-oxoindole-4-carboxylic acid?
The InChIKey is NBZNPZGVMKYJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5NO3/c11-8-4-6-5(9(12)13)2-1-3-7(6)10-8/h1-4H,(H,12,13).
What are the key properties of 2-oxoindole-4-carboxylic acid?
2-oxoindole-4-carboxylic acid has a molecular weight of 175.14 g/mol, XLogP of -0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxoindole-4-carboxylic acid is sourced from PubChem (CID 53423770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).