3-ethyl-1,5,7-trimethylindole

C13H17N — CID 165358594

IUPAC3-ethyl-1,5,7-trimethylindole
SMILESCCc1cn(C)c2c(C)cc(C)cc12
InChIInChI=1S/C13H17N/c1-5-11-8-14(4)13-10(3)6-9(2)7-12(11)13/h6-8H,5H2,1-4H3
InChIKeyTWVSQQLZNLJACR-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.36
Rot. Bonds1

About 3-ethyl-1,5,7-trimethylindole

3-ethyl-1,5,7-trimethylindole (PubChem CID 165358594) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 3-ethyl-1,5,7-trimethylindole.

Molecular Properties

Compound Name3-ethyl-1,5,7-trimethylindole
PubChem CID165358594
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name3-ethyl-1,5,7-trimethylindole
SMILESCCc1cn(C)c2c(C)cc(C)cc12
InChIInChI=1S/C13H17N/c1-5-11-8-14(4)13-10(3)6-9(2)7-12(11)13/h6-8H,5H2,1-4H3
InChIKeyTWVSQQLZNLJACR-UHFFFAOYSA-N
XLogP3.36
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,5,7-trimethylindole?
The IUPAC name of 3-ethyl-1,5,7-trimethylindole (CID 165358594) is 3-ethyl-1,5,7-trimethylindole.
What is the SMILES notation for 3-ethyl-1,5,7-trimethylindole?
The canonical SMILES for 3-ethyl-1,5,7-trimethylindole is CCc1cn(C)c2c(C)cc(C)cc12.
What is the InChIKey of 3-ethyl-1,5,7-trimethylindole?
The InChIKey is TWVSQQLZNLJACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-5-11-8-14(4)13-10(3)6-9(2)7-12(11)13/h6-8H,5H2,1-4H3.
What are the key properties of 3-ethyl-1,5,7-trimethylindole?
3-ethyl-1,5,7-trimethylindole has a molecular weight of 187.29 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,5,7-trimethylindole is sourced from PubChem (CID 165358594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).