1,6-dimethyl-3-propylindole-5-carboxylic acid

C14H17NO2 — CID 83963400

IUPAC1,6-dimethyl-3-propylindole-5-carboxylic acid
SMILESCCCc1cn(C)c2cc(C)c(C(=O)O)cc12
InChIInChI=1S/C14H17NO2/c1-4-5-10-8-15(3)13-6-9(2)11(14(16)17)7-12(10)13/h6-8H,4-5H2,1-3H3,(H,16,17)
InChIKeyAIVGWSTXABNTJF-UHFFFAOYSA-N
MW231.29 g/mol
LogP3.14
Rot. Bonds3

About 1,6-dimethyl-3-propylindole-5-carboxylic acid

1,6-dimethyl-3-propylindole-5-carboxylic acid (PubChem CID 83963400) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 1,6-dimethyl-3-propylindole-5-carboxylic acid.

Molecular Properties

Compound Name1,6-dimethyl-3-propylindole-5-carboxylic acid
PubChem CID83963400
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name1,6-dimethyl-3-propylindole-5-carboxylic acid
SMILESCCCc1cn(C)c2cc(C)c(C(=O)O)cc12
InChIInChI=1S/C14H17NO2/c1-4-5-10-8-15(3)13-6-9(2)11(14(16)17)7-12(10)13/h6-8H,4-5H2,1-3H3,(H,16,17)
InChIKeyAIVGWSTXABNTJF-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-3-propylindole-5-carboxylic acid?
The IUPAC name of 1,6-dimethyl-3-propylindole-5-carboxylic acid (CID 83963400) is 1,6-dimethyl-3-propylindole-5-carboxylic acid.
What is the SMILES notation for 1,6-dimethyl-3-propylindole-5-carboxylic acid?
The canonical SMILES for 1,6-dimethyl-3-propylindole-5-carboxylic acid is CCCc1cn(C)c2cc(C)c(C(=O)O)cc12.
What is the InChIKey of 1,6-dimethyl-3-propylindole-5-carboxylic acid?
The InChIKey is AIVGWSTXABNTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-4-5-10-8-15(3)13-6-9(2)11(14(16)17)7-12(10)13/h6-8H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 1,6-dimethyl-3-propylindole-5-carboxylic acid?
1,6-dimethyl-3-propylindole-5-carboxylic acid has a molecular weight of 231.29 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-3-propylindole-5-carboxylic acid is sourced from PubChem (CID 83963400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).