6-bromo-2,3-bis(ethenyl)-1-ethylindole

C14H14BrN — CID 178034709

IUPAC6-bromo-2,3-bis(ethenyl)-1-ethylindole
SMILESC=Cc1c(C=C)n(CC)c2cc(Br)ccc12
InChIInChI=1S/C14H14BrN/c1-4-11-12-8-7-10(15)9-14(12)16(6-3)13(11)5-2/h4-5,7-9H,1-2,6H2,3H3
InChIKeyJURWKOAQTXZNIM-UHFFFAOYSA-N
MW276.18 g/mol
LogP4.71
Rot. Bonds3

About 6-bromo-2,3-bis(ethenyl)-1-ethylindole

6-bromo-2,3-bis(ethenyl)-1-ethylindole (PubChem CID 178034709) has the molecular formula C14H14BrN and a molecular weight of 276.18 g/mol. Its IUPAC name is 6-bromo-2,3-bis(ethenyl)-1-ethylindole.

Molecular Properties

Compound Name6-bromo-2,3-bis(ethenyl)-1-ethylindole
PubChem CID178034709
Molecular FormulaC14H14BrN
Molecular Weight276.18 g/mol
Exact Mass275.03
IUPAC Name6-bromo-2,3-bis(ethenyl)-1-ethylindole
SMILESC=Cc1c(C=C)n(CC)c2cc(Br)ccc12
InChIInChI=1S/C14H14BrN/c1-4-11-12-8-7-10(15)9-14(12)16(6-3)13(11)5-2/h4-5,7-9H,1-2,6H2,3H3
InChIKeyJURWKOAQTXZNIM-UHFFFAOYSA-N
XLogP4.71
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,3-bis(ethenyl)-1-ethylindole?
The IUPAC name of 6-bromo-2,3-bis(ethenyl)-1-ethylindole (CID 178034709) is 6-bromo-2,3-bis(ethenyl)-1-ethylindole.
What is the SMILES notation for 6-bromo-2,3-bis(ethenyl)-1-ethylindole?
The canonical SMILES for 6-bromo-2,3-bis(ethenyl)-1-ethylindole is C=Cc1c(C=C)n(CC)c2cc(Br)ccc12.
What is the InChIKey of 6-bromo-2,3-bis(ethenyl)-1-ethylindole?
The InChIKey is JURWKOAQTXZNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN/c1-4-11-12-8-7-10(15)9-14(12)16(6-3)13(11)5-2/h4-5,7-9H,1-2,6H2,3H3.
What are the key properties of 6-bromo-2,3-bis(ethenyl)-1-ethylindole?
6-bromo-2,3-bis(ethenyl)-1-ethylindole has a molecular weight of 276.18 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,3-bis(ethenyl)-1-ethylindole is sourced from PubChem (CID 178034709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).