5-ethyl-1-propan-2-yl-3-propylindole-7-carboxylic acid

C17H23NO2 — CID 83946165

IUPAC5-ethyl-1-propan-2-yl-3-propylindole-7-carboxylic acid
SMILESCCCc1cn(C(C)C)c2c(C(=O)O)cc(CC)cc12
InChIInChI=1S/C17H23NO2/c1-5-7-13-10-18(11(3)4)16-14(13)8-12(6-2)9-15(16)17(19)20/h8-11H,5-7H2,1-4H3,(H,19,20)
InChIKeyHZZBQDRSNRIGSU-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.44
Rot. Bonds5

About 5-ethyl-1-propan-2-yl-3-propylindole-7-carboxylic acid

5-ethyl-1-propan-2-yl-3-propylindole-7-carboxylic acid (PubChem CID 83946165) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 5-ethyl-1-propan-2-yl-3-propylindole-7-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-1-propan-2-yl-3-propylindole-7-carboxylic acid
PubChem CID83946165
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name5-ethyl-1-propan-2-yl-3-propylindole-7-carboxylic acid
SMILESCCCc1cn(C(C)C)c2c(C(=O)O)cc(CC)cc12
InChIInChI=1S/C17H23NO2/c1-5-7-13-10-18(11(3)4)16-14(13)8-12(6-2)9-15(16)17(19)20/h8-11H,5-7H2,1-4H3,(H,19,20)
InChIKeyHZZBQDRSNRIGSU-UHFFFAOYSA-N
XLogP4.44
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-3-(1-hydroxyethyl)-1-propan-2-ylindole-7-carboxylic acid
CID 83946162
1-propan-2-yl-3-propylindole-7-carboxylic acid
CID 83945413
3-butyl-1,5-di(propan-2-yl)indole-7-carboxylic acid
CID 83946264
7-methyl-1-propan-2-yl-3-propylindole-5-carboxylic acid
CID 83945974
1,3,5-triethylindole-7-carboxylic acid
CID 83946119
1-butyl-3,5-diethylindole-7-carboxylic acid
CID 83946172
5-ethyl-3-formyl-2-methyl-1-propan-2-ylindole-7-carboxylic acid
CID 83947294
5-ethyl-1,3-dimethylindole-7-carboxylic acid
CID 83946143
5-ethyl-3-propyl-1H-indole-7-carboxylic acid
CID 83946544
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
3-butyl-5-methyl-1-propan-2-ylindole-6-carboxylic acid
CID 83963529

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-propan-2-yl-3-propylindole-7-carboxylic acid?
The IUPAC name of 5-ethyl-1-propan-2-yl-3-propylindole-7-carboxylic acid (CID 83946165) is 5-ethyl-1-propan-2-yl-3-propylindole-7-carboxylic acid.
What is the SMILES notation for 5-ethyl-1-propan-2-yl-3-propylindole-7-carboxylic acid?
The canonical SMILES for 5-ethyl-1-propan-2-yl-3-propylindole-7-carboxylic acid is CCCc1cn(C(C)C)c2c(C(=O)O)cc(CC)cc12.
What is the InChIKey of 5-ethyl-1-propan-2-yl-3-propylindole-7-carboxylic acid?
The InChIKey is HZZBQDRSNRIGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-5-7-13-10-18(11(3)4)16-14(13)8-12(6-2)9-15(16)17(19)20/h8-11H,5-7H2,1-4H3,(H,19,20).
What are the key properties of 5-ethyl-1-propan-2-yl-3-propylindole-7-carboxylic acid?
5-ethyl-1-propan-2-yl-3-propylindole-7-carboxylic acid has a molecular weight of 273.38 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-propan-2-yl-3-propylindole-7-carboxylic acid is sourced from PubChem (CID 83946165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).