5-ethyl-1-propylindole-7-carboxylic acid

C14H17NO2 — CID 83946152

IUPAC5-ethyl-1-propylindole-7-carboxylic acid
SMILESCCCn1ccc2cc(CC)cc(C(=O)O)c21
InChIInChI=1S/C14H17NO2/c1-3-6-15-7-5-11-8-10(4-2)9-12(13(11)15)14(16)17/h5,7-9H,3-4,6H2,1-2H3,(H,16,17)
InChIKeyLTIRVJLTJNZJSU-UHFFFAOYSA-N
MW231.29 g/mol
LogP3.31
Rot. Bonds4

About 5-ethyl-1-propylindole-7-carboxylic acid

5-ethyl-1-propylindole-7-carboxylic acid (PubChem CID 83946152) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 5-ethyl-1-propylindole-7-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-1-propylindole-7-carboxylic acid
PubChem CID83946152
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name5-ethyl-1-propylindole-7-carboxylic acid
SMILESCCCn1ccc2cc(CC)cc(C(=O)O)c21
InChIInChI=1S/C14H17NO2/c1-3-6-15-7-5-11-8-10(4-2)9-12(13(11)15)14(16)17/h5,7-9H,3-4,6H2,1-2H3,(H,16,17)
InChIKeyLTIRVJLTJNZJSU-UHFFFAOYSA-N
XLogP3.31
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-5-methylindole-7-carboxylic acid
CID 83946023
1,5-dimethylindole-7-carboxylic acid
CID 83946044
2,6-diethylnaphthalene-1,8-dicarboxylic acid
CID 70141168
1-butyl-3,5-diethylindole-7-carboxylic acid
CID 83946172
5-ethyl-1,3-dimethylindole-7-carboxylic acid
CID 83946143
1,3,5-triethylindole-7-carboxylic acid
CID 83946119
3-formyl-5-methyl-1-propylindole-7-carboxylic acid
CID 83947946
2-(2-phenylethyl)-1-propylpyrrole-3-carboxylic acid
CID 84756196
6-ethyl-1-propan-2-ylindole-4-carboxylic acid
CID 123691818
1-(2-aminoethyl)-5-ethyl-3-propan-2-ylindole-7-carboxylic acid
CID 83946210
5-amino-1-methylindole-7-carboxylic acid
CID 83483770
2-ethyl-1-pentylpyrrole-3-carboxylic acid
CID 84618050

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-propylindole-7-carboxylic acid?
The IUPAC name of 5-ethyl-1-propylindole-7-carboxylic acid (CID 83946152) is 5-ethyl-1-propylindole-7-carboxylic acid.
What is the SMILES notation for 5-ethyl-1-propylindole-7-carboxylic acid?
The canonical SMILES for 5-ethyl-1-propylindole-7-carboxylic acid is CCCn1ccc2cc(CC)cc(C(=O)O)c21.
What is the InChIKey of 5-ethyl-1-propylindole-7-carboxylic acid?
The InChIKey is LTIRVJLTJNZJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-3-6-15-7-5-11-8-10(4-2)9-12(13(11)15)14(16)17/h5,7-9H,3-4,6H2,1-2H3,(H,16,17).
What are the key properties of 5-ethyl-1-propylindole-7-carboxylic acid?
5-ethyl-1-propylindole-7-carboxylic acid has a molecular weight of 231.29 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-propylindole-7-carboxylic acid is sourced from PubChem (CID 83946152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).