2-(5-formyl-1H-indol-2-yl)acetic acid

C11H9NO3 — CID 22999140

IUPAC2-(5-formyl-1H-indol-2-yl)acetic acid
SMILESO=Cc1ccc2[nH]c(CC(=O)O)cc2c1
InChIInChI=1S/C11H9NO3/c13-6-7-1-2-10-8(3-7)4-9(12-10)5-11(14)15/h1-4,6,12H,5H2,(H,14,15)
InChIKeyCXTFGFXWIYJZQI-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.61
Rot. Bonds3

About 2-(5-formyl-1H-indol-2-yl)acetic acid

2-(5-formyl-1H-indol-2-yl)acetic acid (PubChem CID 22999140) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-(5-formyl-1H-indol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-formyl-1H-indol-2-yl)acetic acid
PubChem CID22999140
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name2-(5-formyl-1H-indol-2-yl)acetic acid
SMILESO=Cc1ccc2[nH]c(CC(=O)O)cc2c1
InChIInChI=1S/C11H9NO3/c13-6-7-1-2-10-8(3-7)4-9(12-10)5-11(14)15/h1-4,6,12H,5H2,(H,14,15)
InChIKeyCXTFGFXWIYJZQI-UHFFFAOYSA-N
XLogP1.61
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-formyl-1H-indol-2-yl)acetic acid?
The IUPAC name of 2-(5-formyl-1H-indol-2-yl)acetic acid (CID 22999140) is 2-(5-formyl-1H-indol-2-yl)acetic acid.
What is the SMILES notation for 2-(5-formyl-1H-indol-2-yl)acetic acid?
The canonical SMILES for 2-(5-formyl-1H-indol-2-yl)acetic acid is O=Cc1ccc2[nH]c(CC(=O)O)cc2c1.
What is the InChIKey of 2-(5-formyl-1H-indol-2-yl)acetic acid?
The InChIKey is CXTFGFXWIYJZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c13-6-7-1-2-10-8(3-7)4-9(12-10)5-11(14)15/h1-4,6,12H,5H2,(H,14,15).
What are the key properties of 2-(5-formyl-1H-indol-2-yl)acetic acid?
2-(5-formyl-1H-indol-2-yl)acetic acid has a molecular weight of 203.20 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-formyl-1H-indol-2-yl)acetic acid is sourced from PubChem (CID 22999140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).