4-ethyl-1,2,3-trimethylindole

C13H17N — CID 118253289

IUPAC4-ethyl-1,2,3-trimethylindole
SMILESCCc1cccc2c1c(C)c(C)n2C
InChIInChI=1S/C13H17N/c1-5-11-7-6-8-12-13(11)9(2)10(3)14(12)4/h6-8H,5H2,1-4H3
InChIKeyYSLYMFFPMWREBW-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.36
Rot. Bonds1

About 4-ethyl-1,2,3-trimethylindole

4-ethyl-1,2,3-trimethylindole (PubChem CID 118253289) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 4-ethyl-1,2,3-trimethylindole.

Molecular Properties

Compound Name4-ethyl-1,2,3-trimethylindole
PubChem CID118253289
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name4-ethyl-1,2,3-trimethylindole
SMILESCCc1cccc2c1c(C)c(C)n2C
InChIInChI=1S/C13H17N/c1-5-11-7-6-8-12-13(11)9(2)10(3)14(12)4/h6-8H,5H2,1-4H3
InChIKeyYSLYMFFPMWREBW-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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Related Compounds

2,5-diethyl-9-methylcarbazole
CID 135251724
ethane;4-ethyl-1,2,3-trimethylpyrrolo[2,3-b]pyridine;molecular hydrogen
CID 160810473
1-ethyl-9-methylcarbazole
CID 21455608
3-(cyclopropylmethyl)-4-fluoro-1,2-dimethylindole
CID 143750031
azane;2,4-diethyl-1-methylbenzimidazole
CID 69090242
5-ethyl-2,3-dimethylimidazo[1,2-a]benzimidazole-1-carboxylic acid
CID 84636555
4-ethyl-2,3-dimethyl-1-benzofuran
CID 121007664
ethane;1,2,3-trimethylindole
CID 91590745
2-(5-ethyl-2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid
CID 84641639
(3-ethyl-1-methylindol-4-yl)methanamine
CID 115017614
3-bromo-4-fluoro-1,2-dimethylindole
CID 84703117
1-ethyl-5,9-dimethyl-2H-pyrido[3,4-b]indol-3-one
CID 115043759

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,2,3-trimethylindole?
The IUPAC name of 4-ethyl-1,2,3-trimethylindole (CID 118253289) is 4-ethyl-1,2,3-trimethylindole.
What is the SMILES notation for 4-ethyl-1,2,3-trimethylindole?
The canonical SMILES for 4-ethyl-1,2,3-trimethylindole is CCc1cccc2c1c(C)c(C)n2C.
What is the InChIKey of 4-ethyl-1,2,3-trimethylindole?
The InChIKey is YSLYMFFPMWREBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-5-11-7-6-8-12-13(11)9(2)10(3)14(12)4/h6-8H,5H2,1-4H3.
What are the key properties of 4-ethyl-1,2,3-trimethylindole?
4-ethyl-1,2,3-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 4-ethyl-1,2,3-trimethylindole is sourced from PubChem (CID 118253289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).