6-cyclopropyl-1H-indole-2-carboxylic acid

C12H11NO2 — CID 79983056

IUPAC6-cyclopropyl-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2ccc(C3CC3)cc2[nH]1
InChIInChI=1S/C12H11NO2/c14-12(15)11-6-9-4-3-8(7-1-2-7)5-10(9)13-11/h3-7,13H,1-2H2,(H,14,15)
InChIKeyHRONARGBNYEGRU-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.74
Rot. Bonds2

About 6-cyclopropyl-1H-indole-2-carboxylic acid

6-cyclopropyl-1H-indole-2-carboxylic acid (PubChem CID 79983056) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 6-cyclopropyl-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name6-cyclopropyl-1H-indole-2-carboxylic acid
PubChem CID79983056
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name6-cyclopropyl-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2ccc(C3CC3)cc2[nH]1
InChIInChI=1S/C12H11NO2/c14-12(15)11-6-9-4-3-8(7-1-2-7)5-10(9)13-11/h3-7,13H,1-2H2,(H,14,15)
InChIKeyHRONARGBNYEGRU-UHFFFAOYSA-N
XLogP2.74
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1H-indole-2-carboxylic acid?
The IUPAC name of 6-cyclopropyl-1H-indole-2-carboxylic acid (CID 79983056) is 6-cyclopropyl-1H-indole-2-carboxylic acid.
What is the SMILES notation for 6-cyclopropyl-1H-indole-2-carboxylic acid?
The canonical SMILES for 6-cyclopropyl-1H-indole-2-carboxylic acid is O=C(O)c1cc2ccc(C3CC3)cc2[nH]1.
What is the InChIKey of 6-cyclopropyl-1H-indole-2-carboxylic acid?
The InChIKey is HRONARGBNYEGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c14-12(15)11-6-9-4-3-8(7-1-2-7)5-10(9)13-11/h3-7,13H,1-2H2,(H,14,15).
What are the key properties of 6-cyclopropyl-1H-indole-2-carboxylic acid?
6-cyclopropyl-1H-indole-2-carboxylic acid has a molecular weight of 201.22 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1H-indole-2-carboxylic acid is sourced from PubChem (CID 79983056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).