6-tert-butyl-1-ethenyl-2-propan-2-ylindole

C17H23N — CID 139475210

IUPAC6-tert-butyl-1-ethenyl-2-propan-2-ylindole
SMILESC=Cn1c(C(C)C)cc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C17H23N/c1-7-18-15(12(2)3)10-13-8-9-14(11-16(13)18)17(4,5)6/h7-12H,1H2,2-6H3
InChIKeyYANDBHXDGVYEHK-UHFFFAOYSA-N
MW241.38 g/mol
LogP5.16
Rot. Bonds2

About 6-tert-butyl-1-ethenyl-2-propan-2-ylindole

6-tert-butyl-1-ethenyl-2-propan-2-ylindole (PubChem CID 139475210) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 6-tert-butyl-1-ethenyl-2-propan-2-ylindole.

Molecular Properties

Compound Name6-tert-butyl-1-ethenyl-2-propan-2-ylindole
PubChem CID139475210
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name6-tert-butyl-1-ethenyl-2-propan-2-ylindole
SMILESC=Cn1c(C(C)C)cc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C17H23N/c1-7-18-15(12(2)3)10-13-8-9-14(11-16(13)18)17(4,5)6/h7-12H,1H2,2-6H3
InChIKeyYANDBHXDGVYEHK-UHFFFAOYSA-N
XLogP5.16
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.38
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 153429567
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2,6-ditert-butylanthracene
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2,7-ditert-butylphenazine
CID 59610780
2,6-ditert-butyl-1-cyclobutylindole
CID 153429566
2,7-ditert-butyl-9-(2,3,5,6-tetramethylheptan-4-yl)carbazole
CID 155180694
3,9-ditert-butylisoindolo[2,1-a]quinoline
CID 159003286
6-tert-butyl-N,1-di(propan-2-yl)benzimidazol-2-amine
CID 132599814
(E)-3-(5-tert-butyl-1-propan-2-ylbenzimidazol-2-yl)prop-2-enoic acid
CID 84643656
2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene
CID 159502457

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-ethenyl-2-propan-2-ylindole?
The IUPAC name of 6-tert-butyl-1-ethenyl-2-propan-2-ylindole (CID 139475210) is 6-tert-butyl-1-ethenyl-2-propan-2-ylindole.
What is the SMILES notation for 6-tert-butyl-1-ethenyl-2-propan-2-ylindole?
The canonical SMILES for 6-tert-butyl-1-ethenyl-2-propan-2-ylindole is C=Cn1c(C(C)C)cc2ccc(C(C)(C)C)cc21.
What is the InChIKey of 6-tert-butyl-1-ethenyl-2-propan-2-ylindole?
The InChIKey is YANDBHXDGVYEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-7-18-15(12(2)3)10-13-8-9-14(11-16(13)18)17(4,5)6/h7-12H,1H2,2-6H3.
What are the key properties of 6-tert-butyl-1-ethenyl-2-propan-2-ylindole?
6-tert-butyl-1-ethenyl-2-propan-2-ylindole has a molecular weight of 241.38 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-ethenyl-2-propan-2-ylindole is sourced from PubChem (CID 139475210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).