5-ethyl-3-propyl-1H-indole-7-carboxylic acid

C14H17NO2 — CID 83946544

IUPAC5-ethyl-3-propyl-1H-indole-7-carboxylic acid
SMILESCCCc1c[nH]c2c(C(=O)O)cc(CC)cc12
InChIInChI=1S/C14H17NO2/c1-3-5-10-8-15-13-11(10)6-9(4-2)7-12(13)14(16)17/h6-8,15H,3-5H2,1-2H3,(H,16,17)
InChIKeyFIWMQILLMMRUSH-UHFFFAOYSA-N
MW231.29 g/mol
LogP3.38
Rot. Bonds4

About 5-ethyl-3-propyl-1H-indole-7-carboxylic acid

5-ethyl-3-propyl-1H-indole-7-carboxylic acid (PubChem CID 83946544) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 5-ethyl-3-propyl-1H-indole-7-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-3-propyl-1H-indole-7-carboxylic acid
PubChem CID83946544
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name5-ethyl-3-propyl-1H-indole-7-carboxylic acid
SMILESCCCc1c[nH]c2c(C(=O)O)cc(CC)cc12
InChIInChI=1S/C14H17NO2/c1-3-5-10-8-15-13-11(10)6-9(4-2)7-12(13)14(16)17/h6-8,15H,3-5H2,1-2H3,(H,16,17)
InChIKeyFIWMQILLMMRUSH-UHFFFAOYSA-N
XLogP3.38
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-aminoethyl)-5-ethyl-1H-indole-7-carboxylic acid
CID 83946549
3-butyl-5-tert-butyl-1H-indole-7-carboxylic acid
CID 83946399
5-ethyl-1-propan-2-yl-3-propylindole-7-carboxylic acid
CID 83946165
2,5-dipropylbenzoic acid
CID 139904729
4-methoxy-3-propyl-1H-indole-7-carboxylic acid
CID 170204793
5-ethyl-2-methyl-1H-indole-7-carboxylic acid
CID 83964802
5-methyl-7-(3-methylbut-2-enyl)-3-propyl-1H-indole
CID 170014005
1,3,5-triethylindole-7-carboxylic acid
CID 83946119
5-chloro-7-methyl-3-propyl-1H-indole
CID 91802279
1-butyl-3,5-diethylindole-7-carboxylic acid
CID 83946172
5-ethyl-1,3-dimethylindole-7-carboxylic acid
CID 83946143
4-ethyl-2,6-dipropylphenol
CID 66879596

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-propyl-1H-indole-7-carboxylic acid?
The IUPAC name of 5-ethyl-3-propyl-1H-indole-7-carboxylic acid (CID 83946544) is 5-ethyl-3-propyl-1H-indole-7-carboxylic acid.
What is the SMILES notation for 5-ethyl-3-propyl-1H-indole-7-carboxylic acid?
The canonical SMILES for 5-ethyl-3-propyl-1H-indole-7-carboxylic acid is CCCc1c[nH]c2c(C(=O)O)cc(CC)cc12.
What is the InChIKey of 5-ethyl-3-propyl-1H-indole-7-carboxylic acid?
The InChIKey is FIWMQILLMMRUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-3-5-10-8-15-13-11(10)6-9(4-2)7-12(13)14(16)17/h6-8,15H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 5-ethyl-3-propyl-1H-indole-7-carboxylic acid?
5-ethyl-3-propyl-1H-indole-7-carboxylic acid has a molecular weight of 231.29 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-propyl-1H-indole-7-carboxylic acid is sourced from PubChem (CID 83946544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).