6-ethyl-1-propan-2-ylindole-4-carboxylic acid

C14H17NO2 — CID 123691818

IUPAC6-ethyl-1-propan-2-ylindole-4-carboxylic acid
SMILESCCc1cc(C(=O)O)c2ccn(C(C)C)c2c1
InChIInChI=1S/C14H17NO2/c1-4-10-7-12(14(16)17)11-5-6-15(9(2)3)13(11)8-10/h5-9H,4H2,1-3H3,(H,16,17)
InChIKeyXIDZXCYYMIFMGZ-UHFFFAOYSA-N
MW231.29 g/mol
LogP3.48
Rot. Bonds3

About 6-ethyl-1-propan-2-ylindole-4-carboxylic acid

6-ethyl-1-propan-2-ylindole-4-carboxylic acid (PubChem CID 123691818) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 6-ethyl-1-propan-2-ylindole-4-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-1-propan-2-ylindole-4-carboxylic acid
PubChem CID123691818
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name6-ethyl-1-propan-2-ylindole-4-carboxylic acid
SMILESCCc1cc(C(=O)O)c2ccn(C(C)C)c2c1
InChIInChI=1S/C14H17NO2/c1-4-10-7-12(14(16)17)11-5-6-15(9(2)3)13(11)8-10/h5-9H,4H2,1-3H3,(H,16,17)
InChIKeyXIDZXCYYMIFMGZ-UHFFFAOYSA-N
XLogP3.48
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-propan-2-ylindole-4-carboxylic acid?
The IUPAC name of 6-ethyl-1-propan-2-ylindole-4-carboxylic acid (CID 123691818) is 6-ethyl-1-propan-2-ylindole-4-carboxylic acid.
What is the SMILES notation for 6-ethyl-1-propan-2-ylindole-4-carboxylic acid?
The canonical SMILES for 6-ethyl-1-propan-2-ylindole-4-carboxylic acid is CCc1cc(C(=O)O)c2ccn(C(C)C)c2c1.
What is the InChIKey of 6-ethyl-1-propan-2-ylindole-4-carboxylic acid?
The InChIKey is XIDZXCYYMIFMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-4-10-7-12(14(16)17)11-5-6-15(9(2)3)13(11)8-10/h5-9H,4H2,1-3H3,(H,16,17).
What are the key properties of 6-ethyl-1-propan-2-ylindole-4-carboxylic acid?
6-ethyl-1-propan-2-ylindole-4-carboxylic acid has a molecular weight of 231.29 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-propan-2-ylindole-4-carboxylic acid is sourced from PubChem (CID 123691818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).