3-ethenyl-1,2,5-trimethylindole

C13H15N — CID 89379856

IUPAC3-ethenyl-1,2,5-trimethylindole
SMILESC=Cc1c(C)n(C)c2ccc(C)cc12
InChIInChI=1S/C13H15N/c1-5-11-10(3)14(4)13-7-6-9(2)8-12(11)13/h5-8H,1H2,2-4H3
InChIKeyMFKHNZXHZXDMKK-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.44
Rot. Bonds1

About 3-ethenyl-1,2,5-trimethylindole

3-ethenyl-1,2,5-trimethylindole (PubChem CID 89379856) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-ethenyl-1,2,5-trimethylindole.

Molecular Properties

Compound Name3-ethenyl-1,2,5-trimethylindole
PubChem CID89379856
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name3-ethenyl-1,2,5-trimethylindole
SMILESC=Cc1c(C)n(C)c2ccc(C)cc12
InChIInChI=1S/C13H15N/c1-5-11-10(3)14(4)13-7-6-9(2)8-12(11)13/h5-8H,1H2,2-4H3
InChIKeyMFKHNZXHZXDMKK-UHFFFAOYSA-N
XLogP3.44
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1,2,5-trimethylindole?
The IUPAC name of 3-ethenyl-1,2,5-trimethylindole (CID 89379856) is 3-ethenyl-1,2,5-trimethylindole.
What is the SMILES notation for 3-ethenyl-1,2,5-trimethylindole?
The canonical SMILES for 3-ethenyl-1,2,5-trimethylindole is C=Cc1c(C)n(C)c2ccc(C)cc12.
What is the InChIKey of 3-ethenyl-1,2,5-trimethylindole?
The InChIKey is MFKHNZXHZXDMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-5-11-10(3)14(4)13-7-6-9(2)8-12(11)13/h5-8H,1H2,2-4H3.
What are the key properties of 3-ethenyl-1,2,5-trimethylindole?
3-ethenyl-1,2,5-trimethylindole has a molecular weight of 185.27 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1,2,5-trimethylindole is sourced from PubChem (CID 89379856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).