5-bromo-3-ethyl-7-prop-1-en-2-yl-1H-indole

C13H14BrN — CID 134241010

IUPAC5-bromo-3-ethyl-7-prop-1-en-2-yl-1H-indole
SMILESC=C(C)c1cc(Br)cc2c(CC)c[nH]c12
InChIInChI=1S/C13H14BrN/c1-4-9-7-15-13-11(8(2)3)5-10(14)6-12(9)13/h5-7,15H,2,4H2,1,3H3
InChIKeyPGOABUCPXFQGQW-UHFFFAOYSA-N
MW264.17 g/mol
LogP4.53
Rot. Bonds2

About 5-bromo-3-ethyl-7-prop-1-en-2-yl-1H-indole

5-bromo-3-ethyl-7-prop-1-en-2-yl-1H-indole (PubChem CID 134241010) has the molecular formula C13H14BrN and a molecular weight of 264.17 g/mol. Its IUPAC name is 5-bromo-3-ethyl-7-prop-1-en-2-yl-1H-indole.

Molecular Properties

Compound Name5-bromo-3-ethyl-7-prop-1-en-2-yl-1H-indole
PubChem CID134241010
Molecular FormulaC13H14BrN
Molecular Weight264.17 g/mol
Exact Mass263.03
IUPAC Name5-bromo-3-ethyl-7-prop-1-en-2-yl-1H-indole
SMILESC=C(C)c1cc(Br)cc2c(CC)c[nH]c12
InChIInChI=1S/C13H14BrN/c1-4-9-7-15-13-11(8(2)3)5-10(14)6-12(9)13/h5-7,15H,2,4H2,1,3H3
InChIKeyPGOABUCPXFQGQW-UHFFFAOYSA-N
XLogP4.53
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.17
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-ethyl-7-prop-1-en-2-yl-1H-indole?
The IUPAC name of 5-bromo-3-ethyl-7-prop-1-en-2-yl-1H-indole (CID 134241010) is 5-bromo-3-ethyl-7-prop-1-en-2-yl-1H-indole.
What is the SMILES notation for 5-bromo-3-ethyl-7-prop-1-en-2-yl-1H-indole?
The canonical SMILES for 5-bromo-3-ethyl-7-prop-1-en-2-yl-1H-indole is C=C(C)c1cc(Br)cc2c(CC)c[nH]c12.
What is the InChIKey of 5-bromo-3-ethyl-7-prop-1-en-2-yl-1H-indole?
The InChIKey is PGOABUCPXFQGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN/c1-4-9-7-15-13-11(8(2)3)5-10(14)6-12(9)13/h5-7,15H,2,4H2,1,3H3.
What are the key properties of 5-bromo-3-ethyl-7-prop-1-en-2-yl-1H-indole?
5-bromo-3-ethyl-7-prop-1-en-2-yl-1H-indole has a molecular weight of 264.17 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-ethyl-7-prop-1-en-2-yl-1H-indole is sourced from PubChem (CID 134241010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).