1-(2-ethylbutyl)indole-7-carboxylic acid

C15H19NO2 — CID 82928947

IUPAC1-(2-ethylbutyl)indole-7-carboxylic acid
SMILESCCC(CC)Cn1ccc2cccc(C(=O)O)c21
InChIInChI=1S/C15H19NO2/c1-3-11(4-2)10-16-9-8-12-6-5-7-13(14(12)16)15(17)18/h5-9,11H,3-4,10H2,1-2H3,(H,17,18)
InChIKeyZJLNFPUWZRKJAX-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.78
Rot. Bonds5

About 1-(2-ethylbutyl)indole-7-carboxylic acid

1-(2-ethylbutyl)indole-7-carboxylic acid (PubChem CID 82928947) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-(2-ethylbutyl)indole-7-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethylbutyl)indole-7-carboxylic acid
PubChem CID82928947
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-(2-ethylbutyl)indole-7-carboxylic acid
SMILESCCC(CC)Cn1ccc2cccc(C(=O)O)c21
InChIInChI=1S/C15H19NO2/c1-3-11(4-2)10-16-9-8-12-6-5-7-13(14(12)16)15(17)18/h5-9,11H,3-4,10H2,1-2H3,(H,17,18)
InChIKeyZJLNFPUWZRKJAX-UHFFFAOYSA-N
XLogP3.78
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbutyl)indole-7-carboxylic acid?
The IUPAC name of 1-(2-ethylbutyl)indole-7-carboxylic acid (CID 82928947) is 1-(2-ethylbutyl)indole-7-carboxylic acid.
What is the SMILES notation for 1-(2-ethylbutyl)indole-7-carboxylic acid?
The canonical SMILES for 1-(2-ethylbutyl)indole-7-carboxylic acid is CCC(CC)Cn1ccc2cccc(C(=O)O)c21.
What is the InChIKey of 1-(2-ethylbutyl)indole-7-carboxylic acid?
The InChIKey is ZJLNFPUWZRKJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-3-11(4-2)10-16-9-8-12-6-5-7-13(14(12)16)15(17)18/h5-9,11H,3-4,10H2,1-2H3,(H,17,18).
What are the key properties of 1-(2-ethylbutyl)indole-7-carboxylic acid?
1-(2-ethylbutyl)indole-7-carboxylic acid has a molecular weight of 245.32 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbutyl)indole-7-carboxylic acid is sourced from PubChem (CID 82928947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).