3-(2-bicyclo[2.2.1]heptanyl)-7-bromo-1H-indole

C15H16BrN — CID 106985399

IUPAC3-(2-bicyclo[2.2.1]heptanyl)-7-bromo-1H-indole
SMILESBrc1cccc2c(C3CC4CCC3C4)c[nH]c12
InChIInChI=1S/C15H16BrN/c16-14-3-1-2-11-13(8-17-15(11)14)12-7-9-4-5-10(12)6-9/h1-3,8-10,12,17H,4-7H2
InChIKeyVGFIQEVACOQOBX-UHFFFAOYSA-N
MW290.20 g/mol
LogP4.83
Rot. Bonds1

About 3-(2-bicyclo[2.2.1]heptanyl)-7-bromo-1H-indole

3-(2-bicyclo[2.2.1]heptanyl)-7-bromo-1H-indole (PubChem CID 106985399) has the molecular formula C15H16BrN and a molecular weight of 290.20 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanyl)-7-bromo-1H-indole.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanyl)-7-bromo-1H-indole
PubChem CID106985399
Molecular FormulaC15H16BrN
Molecular Weight290.20 g/mol
Exact Mass289.05
IUPAC Name3-(2-bicyclo[2.2.1]heptanyl)-7-bromo-1H-indole
SMILESBrc1cccc2c(C3CC4CCC3C4)c[nH]c12
InChIInChI=1S/C15H16BrN/c16-14-3-1-2-11-13(8-17-15(11)14)12-7-9-4-5-10(12)6-9/h1-3,8-10,12,17H,4-7H2
InChIKeyVGFIQEVACOQOBX-UHFFFAOYSA-N
XLogP4.83
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]heptanyl)-7-bromo-1H-indole?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanyl)-7-bromo-1H-indole (CID 106985399) is 3-(2-bicyclo[2.2.1]heptanyl)-7-bromo-1H-indole.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanyl)-7-bromo-1H-indole?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanyl)-7-bromo-1H-indole is Brc1cccc2c(C3CC4CCC3C4)c[nH]c12.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanyl)-7-bromo-1H-indole?
The InChIKey is VGFIQEVACOQOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN/c16-14-3-1-2-11-13(8-17-15(11)14)12-7-9-4-5-10(12)6-9/h1-3,8-10,12,17H,4-7H2.
What are the key properties of 3-(2-bicyclo[2.2.1]heptanyl)-7-bromo-1H-indole?
3-(2-bicyclo[2.2.1]heptanyl)-7-bromo-1H-indole has a molecular weight of 290.20 g/mol, XLogP of 4.83, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]heptanyl)-7-bromo-1H-indole is sourced from PubChem (CID 106985399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).