2-ethyl-5-propyl-1H-indole

C13H17N — CID 86257176

IUPAC2-ethyl-5-propyl-1H-indole
SMILESCCCc1ccc2[nH]c(CC)cc2c1
InChIInChI=1S/C13H17N/c1-3-5-10-6-7-13-11(8-10)9-12(4-2)14-13/h6-9,14H,3-5H2,1-2H3
InChIKeyBGHQCNKQWSUUEQ-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.68
Rot. Bonds3

About 2-ethyl-5-propyl-1H-indole

2-ethyl-5-propyl-1H-indole (PubChem CID 86257176) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 2-ethyl-5-propyl-1H-indole.

Molecular Properties

Compound Name2-ethyl-5-propyl-1H-indole
PubChem CID86257176
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name2-ethyl-5-propyl-1H-indole
SMILESCCCc1ccc2[nH]c(CC)cc2c1
InChIInChI=1S/C13H17N/c1-3-5-10-6-7-13-11(8-10)9-12(4-2)14-13/h6-9,14H,3-5H2,1-2H3
InChIKeyBGHQCNKQWSUUEQ-UHFFFAOYSA-N
XLogP3.68
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-propyl-1H-indole?
The IUPAC name of 2-ethyl-5-propyl-1H-indole (CID 86257176) is 2-ethyl-5-propyl-1H-indole.
What is the SMILES notation for 2-ethyl-5-propyl-1H-indole?
The canonical SMILES for 2-ethyl-5-propyl-1H-indole is CCCc1ccc2[nH]c(CC)cc2c1.
What is the InChIKey of 2-ethyl-5-propyl-1H-indole?
The InChIKey is BGHQCNKQWSUUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-3-5-10-6-7-13-11(8-10)9-12(4-2)14-13/h6-9,14H,3-5H2,1-2H3.
What are the key properties of 2-ethyl-5-propyl-1H-indole?
2-ethyl-5-propyl-1H-indole has a molecular weight of 187.29 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-propyl-1H-indole is sourced from PubChem (CID 86257176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).