7-bromo-3-pentan-2-yl-1H-indole

C13H16BrN — CID 106985623

IUPAC7-bromo-3-pentan-2-yl-1H-indole
SMILESCCCC(C)c1c[nH]c2c(Br)cccc12
InChIInChI=1S/C13H16BrN/c1-3-5-9(2)11-8-15-13-10(11)6-4-7-12(13)14/h4,6-9,15H,3,5H2,1-2H3
InChIKeyDUMLHSAYMNZYMW-UHFFFAOYSA-N
MW266.18 g/mol
LogP4.83
Rot. Bonds3

About 7-bromo-3-pentan-2-yl-1H-indole

7-bromo-3-pentan-2-yl-1H-indole (PubChem CID 106985623) has the molecular formula C13H16BrN and a molecular weight of 266.18 g/mol. Its IUPAC name is 7-bromo-3-pentan-2-yl-1H-indole.

Molecular Properties

Compound Name7-bromo-3-pentan-2-yl-1H-indole
PubChem CID106985623
Molecular FormulaC13H16BrN
Molecular Weight266.18 g/mol
Exact Mass265.05
IUPAC Name7-bromo-3-pentan-2-yl-1H-indole
SMILESCCCC(C)c1c[nH]c2c(Br)cccc12
InChIInChI=1S/C13H16BrN/c1-3-5-9(2)11-8-15-13-10(11)6-4-7-12(13)14/h4,6-9,15H,3,5H2,1-2H3
InChIKeyDUMLHSAYMNZYMW-UHFFFAOYSA-N
XLogP4.83
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2-(7-bromo-1H-indol-3-yl)propan-1-amine
CID 76846624
7-bromo-3-propan-2-yl-1H-indole
CID 106985591
7-bromo-3-(2-methylpentan-3-yl)-1H-indole
CID 106985203
2-amino-1-(7-bromo-1H-indol-3-yl)ethanol
CID 76846683
7-bromo-3-(1,2,2-trifluoroethyl)-1H-indole
CID 175467087
1-(7-bromo-1H-indol-3-yl)butan-1-one
CID 175665969
5,7-dimethyl-3-pentan-2-yl-1H-indole
CID 106985627
7-chloro-3-(2-methylpentan-3-yl)-1H-indole
CID 106985200
7-bromo-3-(ethylsulfanylmethyl)-1H-indole
CID 117182045
7-bromo-3-tert-butyl-1H-indole
CID 106985255
7-chloro-3-[1-(7-chloro-1H-indol-3-yl)ethyl]-1H-indole
CID 102233204
5-tert-butyl-3-pentan-2-yl-1H-indole
CID 106985614

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-pentan-2-yl-1H-indole?
The IUPAC name of 7-bromo-3-pentan-2-yl-1H-indole (CID 106985623) is 7-bromo-3-pentan-2-yl-1H-indole.
What is the SMILES notation for 7-bromo-3-pentan-2-yl-1H-indole?
The canonical SMILES for 7-bromo-3-pentan-2-yl-1H-indole is CCCC(C)c1c[nH]c2c(Br)cccc12.
What is the InChIKey of 7-bromo-3-pentan-2-yl-1H-indole?
The InChIKey is DUMLHSAYMNZYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN/c1-3-5-9(2)11-8-15-13-10(11)6-4-7-12(13)14/h4,6-9,15H,3,5H2,1-2H3.
What are the key properties of 7-bromo-3-pentan-2-yl-1H-indole?
7-bromo-3-pentan-2-yl-1H-indole has a molecular weight of 266.18 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-pentan-2-yl-1H-indole is sourced from PubChem (CID 106985623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).