6-hydroxy-5-oxo-1,7a-dihydroindole-2-carboxylic acid

C9H7NO4 — CID 71417146

IUPAC6-hydroxy-5-oxo-1,7a-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1=CC2=CC(=O)C(O)=CC2N1
InChIInChI=1S/C9H7NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h1-3,5,10,12H,(H,13,14)
InChIKeyJTASAEAXRBMWBA-UHFFFAOYSA-N
MW193.16 g/mol
LogP-0.12
Rot. Bonds1

About 6-hydroxy-5-oxo-1,7a-dihydroindole-2-carboxylic acid

6-hydroxy-5-oxo-1,7a-dihydroindole-2-carboxylic acid (PubChem CID 71417146) has the molecular formula C9H7NO4 and a molecular weight of 193.16 g/mol. Its IUPAC name is 6-hydroxy-5-oxo-1,7a-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-5-oxo-1,7a-dihydroindole-2-carboxylic acid
PubChem CID71417146
Molecular FormulaC9H7NO4
Molecular Weight193.16 g/mol
Exact Mass193.04
IUPAC Name6-hydroxy-5-oxo-1,7a-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1=CC2=CC(=O)C(O)=CC2N1
InChIInChI=1S/C9H7NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h1-3,5,10,12H,(H,13,14)
InChIKeyJTASAEAXRBMWBA-UHFFFAOYSA-N
XLogP-0.12
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-oxo-1,7a-dihydroindole-2-carboxylic acid?
The IUPAC name of 6-hydroxy-5-oxo-1,7a-dihydroindole-2-carboxylic acid (CID 71417146) is 6-hydroxy-5-oxo-1,7a-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 6-hydroxy-5-oxo-1,7a-dihydroindole-2-carboxylic acid?
The canonical SMILES for 6-hydroxy-5-oxo-1,7a-dihydroindole-2-carboxylic acid is O=C(O)C1=CC2=CC(=O)C(O)=CC2N1.
What is the InChIKey of 6-hydroxy-5-oxo-1,7a-dihydroindole-2-carboxylic acid?
The InChIKey is JTASAEAXRBMWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h1-3,5,10,12H,(H,13,14).
What are the key properties of 6-hydroxy-5-oxo-1,7a-dihydroindole-2-carboxylic acid?
6-hydroxy-5-oxo-1,7a-dihydroindole-2-carboxylic acid has a molecular weight of 193.16 g/mol, XLogP of -0.12, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-oxo-1,7a-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 71417146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).