6-bromo-3-ethenyl-1-(2-methylpropyl)indole

C14H16BrN — CID 169304513

IUPAC6-bromo-3-ethenyl-1-(2-methylpropyl)indole
SMILESC=Cc1cn(CC(C)C)c2cc(Br)ccc12
InChIInChI=1S/C14H16BrN/c1-4-11-9-16(8-10(2)3)14-7-12(15)5-6-13(11)14/h4-7,9-10H,1,8H2,2-3H3
InChIKeyACIMPKOOXRRWOS-UHFFFAOYSA-N
MW278.19 g/mol
LogP4.70
Rot. Bonds3

About 6-bromo-3-ethenyl-1-(2-methylpropyl)indole

6-bromo-3-ethenyl-1-(2-methylpropyl)indole (PubChem CID 169304513) has the molecular formula C14H16BrN and a molecular weight of 278.19 g/mol. Its IUPAC name is 6-bromo-3-ethenyl-1-(2-methylpropyl)indole.

Molecular Properties

Compound Name6-bromo-3-ethenyl-1-(2-methylpropyl)indole
PubChem CID169304513
Molecular FormulaC14H16BrN
Molecular Weight278.19 g/mol
Exact Mass277.05
IUPAC Name6-bromo-3-ethenyl-1-(2-methylpropyl)indole
SMILESC=Cc1cn(CC(C)C)c2cc(Br)ccc12
InChIInChI=1S/C14H16BrN/c1-4-11-9-16(8-10(2)3)14-7-12(15)5-6-13(11)14/h4-7,9-10H,1,8H2,2-3H3
InChIKeyACIMPKOOXRRWOS-UHFFFAOYSA-N
XLogP4.70
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[6-bromo-1-(2-methylpropyl)indol-3-yl]ethanone
CID 169304816
2-[6-bromo-1-(2-methylpropyl)indol-3-yl]-2-methylpropanenitrile
CID 169304659
2-[6-bromo-1-(2-methylpropyl)indol-3-yl]-2-oxoacetamide
CID 166911872
2-[6-bromo-1-(2-methylpropyl)indol-3-yl]acetamide
CID 166911742
trans-(1R,2S)-2-[6-bromo-1-(2-methylpropyl)indol-3-yl]cyclopropan-1-amine
CID 166910886
1-[6-bromo-1-(2-methylpropyl)indol-3-yl]-2-propan-2-ylsulfanylethanone
CID 169304742
2-[5-bromo-1-(2-methylpropyl)indol-3-yl]acetonitrile
CID 175317145
6-bromo-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole
CID 65345262
3-[(1E)-3-methylbuta-1,3-dienyl]-1-(2-methylpropyl)indole
CID 90364350
6-bromo-2,3-bis(ethenyl)-1-ethylindole
CID 178034709
6-bromo-1-methyl-3-propan-2-ylindole
CID 115046928
2-(6-bromo-1-ethylindol-3-yl)propanoic acid
CID 117122253

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-ethenyl-1-(2-methylpropyl)indole?
The IUPAC name of 6-bromo-3-ethenyl-1-(2-methylpropyl)indole (CID 169304513) is 6-bromo-3-ethenyl-1-(2-methylpropyl)indole.
What is the SMILES notation for 6-bromo-3-ethenyl-1-(2-methylpropyl)indole?
The canonical SMILES for 6-bromo-3-ethenyl-1-(2-methylpropyl)indole is C=Cc1cn(CC(C)C)c2cc(Br)ccc12.
What is the InChIKey of 6-bromo-3-ethenyl-1-(2-methylpropyl)indole?
The InChIKey is ACIMPKOOXRRWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN/c1-4-11-9-16(8-10(2)3)14-7-12(15)5-6-13(11)14/h4-7,9-10H,1,8H2,2-3H3.
What are the key properties of 6-bromo-3-ethenyl-1-(2-methylpropyl)indole?
6-bromo-3-ethenyl-1-(2-methylpropyl)indole has a molecular weight of 278.19 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-ethenyl-1-(2-methylpropyl)indole is sourced from PubChem (CID 169304513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).