7-bromo-2-methyl-1-propan-2-ylindole

C12H14BrN — CID 68911786

IUPAC7-bromo-2-methyl-1-propan-2-ylindole
SMILESCc1cc2cccc(Br)c2n1C(C)C
InChIInChI=1S/C12H14BrN/c1-8(2)14-9(3)7-10-5-4-6-11(13)12(10)14/h4-8H,1-3H3
InChIKeyQYZXJMYFZITGBH-UHFFFAOYSA-N
MW252.16 g/mol
LogP4.29
Rot. Bonds1

About 7-bromo-2-methyl-1-propan-2-ylindole

7-bromo-2-methyl-1-propan-2-ylindole (PubChem CID 68911786) has the molecular formula C12H14BrN and a molecular weight of 252.16 g/mol. Its IUPAC name is 7-bromo-2-methyl-1-propan-2-ylindole.

Molecular Properties

Compound Name7-bromo-2-methyl-1-propan-2-ylindole
PubChem CID68911786
Molecular FormulaC12H14BrN
Molecular Weight252.16 g/mol
Exact Mass251.03
IUPAC Name7-bromo-2-methyl-1-propan-2-ylindole
SMILESCc1cc2cccc(Br)c2n1C(C)C
InChIInChI=1S/C12H14BrN/c1-8(2)14-9(3)7-10-5-4-6-11(13)12(10)14/h4-8H,1-3H3
InChIKeyQYZXJMYFZITGBH-UHFFFAOYSA-N
XLogP4.29
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.16
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-methyl-1-propan-2-ylindole?
The IUPAC name of 7-bromo-2-methyl-1-propan-2-ylindole (CID 68911786) is 7-bromo-2-methyl-1-propan-2-ylindole.
What is the SMILES notation for 7-bromo-2-methyl-1-propan-2-ylindole?
The canonical SMILES for 7-bromo-2-methyl-1-propan-2-ylindole is Cc1cc2cccc(Br)c2n1C(C)C.
What is the InChIKey of 7-bromo-2-methyl-1-propan-2-ylindole?
The InChIKey is QYZXJMYFZITGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN/c1-8(2)14-9(3)7-10-5-4-6-11(13)12(10)14/h4-8H,1-3H3.
What are the key properties of 7-bromo-2-methyl-1-propan-2-ylindole?
7-bromo-2-methyl-1-propan-2-ylindole has a molecular weight of 252.16 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-methyl-1-propan-2-ylindole is sourced from PubChem (CID 68911786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).