1-formyl-2,3-dihydroindole-5-carboxylic acid

C10H9NO3 — CID 61147748

IUPAC1-formyl-2,3-dihydroindole-5-carboxylic acid
SMILESO=CN1CCc2cc(C(=O)O)ccc21
InChIInChI=1S/C10H9NO3/c12-6-11-4-3-7-5-8(10(13)14)1-2-9(7)11/h1-2,5-6H,3-4H2,(H,13,14)
InChIKeyDBRXANTZLJDAJM-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.90
Rot. Bonds2

About 1-formyl-2,3-dihydroindole-5-carboxylic acid

1-formyl-2,3-dihydroindole-5-carboxylic acid (PubChem CID 61147748) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 1-formyl-2,3-dihydroindole-5-carboxylic acid.

Molecular Properties

Compound Name1-formyl-2,3-dihydroindole-5-carboxylic acid
PubChem CID61147748
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name1-formyl-2,3-dihydroindole-5-carboxylic acid
SMILESO=CN1CCc2cc(C(=O)O)ccc21
InChIInChI=1S/C10H9NO3/c12-6-11-4-3-7-5-8(10(13)14)1-2-9(7)11/h1-2,5-6H,3-4H2,(H,13,14)
InChIKeyDBRXANTZLJDAJM-UHFFFAOYSA-N
XLogP0.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-2,3-dihydroindole-1-carbaldehyde
CID 119090717
1-(2-phenylethenylsulfonyl)-2,3-dihydroindole-5-carboxylic acid
CID 78829266
5-[2-[(5-methyl-2-pyridinyl)oxy]acetyl]-2,3-dihydroindole-1-carbaldehyde
CID 71915251
1-cyclohexylsulfonyl-2,3-dihydroindole-5-carboxylic acid
CID 61066001
1-(piperidine-1-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 61181121
7-acetyl-3,4-dihydro-2H-quinoline-1-carbaldehyde
CID 10241972
1-(2-cyclopentylacetyl)-2,3-dihydroindole-5-carboxylic acid
CID 45349399
1-(ethylsulfamoyl)-2,3-dihydroindole-5-carboxylic acid
CID 114805400
1-butanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43142326
1,2-dimethyl-3H-indazole-5-carboxylic acid
CID 86308105
1-[1-(aminomethyl)cyclobutanecarbonyl]-2,3-dihydroindole-5-carboxylic acid
CID 115448261
1-(thiomorpholine-4-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 61200335

Frequently Asked Questions

What is the IUPAC name of 1-formyl-2,3-dihydroindole-5-carboxylic acid?
The IUPAC name of 1-formyl-2,3-dihydroindole-5-carboxylic acid (CID 61147748) is 1-formyl-2,3-dihydroindole-5-carboxylic acid.
What is the SMILES notation for 1-formyl-2,3-dihydroindole-5-carboxylic acid?
The canonical SMILES for 1-formyl-2,3-dihydroindole-5-carboxylic acid is O=CN1CCc2cc(C(=O)O)ccc21.
What is the InChIKey of 1-formyl-2,3-dihydroindole-5-carboxylic acid?
The InChIKey is DBRXANTZLJDAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c12-6-11-4-3-7-5-8(10(13)14)1-2-9(7)11/h1-2,5-6H,3-4H2,(H,13,14).
What are the key properties of 1-formyl-2,3-dihydroindole-5-carboxylic acid?
1-formyl-2,3-dihydroindole-5-carboxylic acid has a molecular weight of 191.19 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-formyl-2,3-dihydroindole-5-carboxylic acid is sourced from PubChem (CID 61147748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).