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

C11H12BrN — CID 106985591

IUPAC7-bromo-3-propan-2-yl-1H-indole
SMILESCC(C)c1c[nH]c2c(Br)cccc12
InChIInChI=1S/C11H12BrN/c1-7(2)9-6-13-11-8(9)4-3-5-10(11)12/h3-7,13H,1-2H3
InChIKeyYOHDNEPGNLLFJA-UHFFFAOYSA-N
MW238.13 g/mol
LogP4.05
Rot. Bonds1

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

7-bromo-3-propan-2-yl-1H-indole (PubChem CID 106985591) has the molecular formula C11H12BrN and a molecular weight of 238.13 g/mol. Its IUPAC name is 7-bromo-3-propan-2-yl-1H-indole.

Molecular Properties

Compound Name7-bromo-3-propan-2-yl-1H-indole
PubChem CID106985591
Molecular FormulaC11H12BrN
Molecular Weight238.13 g/mol
Exact Mass237.02
IUPAC Name7-bromo-3-propan-2-yl-1H-indole
SMILESCC(C)c1c[nH]c2c(Br)cccc12
InChIInChI=1S/C11H12BrN/c1-7(2)9-6-13-11-8(9)4-3-5-10(11)12/h3-7,13H,1-2H3
InChIKeyYOHDNEPGNLLFJA-UHFFFAOYSA-N
XLogP4.05
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.13
LogP ≤ 54.05
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-(2-methylpentan-3-yl)-1H-indole
CID 106985203
7-bromo-3-pentan-2-yl-1H-indole
CID 106985623
7-bromo-3-(1,2,2-trifluoroethyl)-1H-indole
CID 175467087
7-fluoro-3-propan-2-yl-1H-indole
CID 86276645
2-amino-1-(7-bromo-1H-indol-3-yl)ethanol
CID 76846683
7-bromo-5-fluoro-3-propan-2-yl-1H-indole
CID 106985590
7-bromo-3-tert-butyl-1H-indole
CID 106985255
7-chloro-3-[1-(7-chloro-1H-indol-3-yl)ethyl]-1H-indole
CID 102233204
7-methoxy-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole
CID 144940831
3-propan-2-yl-1H-indole
CID 12534824
8-bromo-3-methyl-1H-quinolin-4-one;ethane
CID 144929790

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-propan-2-yl-1H-indole?
The IUPAC name of 7-bromo-3-propan-2-yl-1H-indole (CID 106985591) is 7-bromo-3-propan-2-yl-1H-indole.
What is the SMILES notation for 7-bromo-3-propan-2-yl-1H-indole?
The canonical SMILES for 7-bromo-3-propan-2-yl-1H-indole is CC(C)c1c[nH]c2c(Br)cccc12.
What is the InChIKey of 7-bromo-3-propan-2-yl-1H-indole?
The InChIKey is YOHDNEPGNLLFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN/c1-7(2)9-6-13-11-8(9)4-3-5-10(11)12/h3-7,13H,1-2H3.
What are the key properties of 7-bromo-3-propan-2-yl-1H-indole?
7-bromo-3-propan-2-yl-1H-indole has a molecular weight of 238.13 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-propan-2-yl-1H-indole is sourced from PubChem (CID 106985591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).