3-bromo-6-cyclopropyl-1H-indole

C11H10BrN — CID 130052143

IUPAC3-bromo-6-cyclopropyl-1H-indole
SMILESBrc1c[nH]c2cc(C3CC3)ccc12
InChIInChI=1S/C11H10BrN/c12-10-6-13-11-5-8(7-1-2-7)3-4-9(10)11/h3-7,13H,1-2H2
InChIKeyLKRUFZNCKRSCQL-UHFFFAOYSA-N
MW236.11 g/mol
LogP3.81
Rot. Bonds1

About 3-bromo-6-cyclopropyl-1H-indole

3-bromo-6-cyclopropyl-1H-indole (PubChem CID 130052143) has the molecular formula C11H10BrN and a molecular weight of 236.11 g/mol. Its IUPAC name is 3-bromo-6-cyclopropyl-1H-indole.

Molecular Properties

Compound Name3-bromo-6-cyclopropyl-1H-indole
PubChem CID130052143
Molecular FormulaC11H10BrN
Molecular Weight236.11 g/mol
Exact Mass235.00
IUPAC Name3-bromo-6-cyclopropyl-1H-indole
SMILESBrc1c[nH]c2cc(C3CC3)ccc12
InChIInChI=1S/C11H10BrN/c12-10-6-13-11-5-8(7-1-2-7)3-4-9(10)11/h3-7,13H,1-2H2
InChIKeyLKRUFZNCKRSCQL-UHFFFAOYSA-N
XLogP3.81
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.11
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-cyclopropyl-1H-indole?
The IUPAC name of 3-bromo-6-cyclopropyl-1H-indole (CID 130052143) is 3-bromo-6-cyclopropyl-1H-indole.
What is the SMILES notation for 3-bromo-6-cyclopropyl-1H-indole?
The canonical SMILES for 3-bromo-6-cyclopropyl-1H-indole is Brc1c[nH]c2cc(C3CC3)ccc12.
What is the InChIKey of 3-bromo-6-cyclopropyl-1H-indole?
The InChIKey is LKRUFZNCKRSCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN/c12-10-6-13-11-5-8(7-1-2-7)3-4-9(10)11/h3-7,13H,1-2H2.
What are the key properties of 3-bromo-6-cyclopropyl-1H-indole?
3-bromo-6-cyclopropyl-1H-indole has a molecular weight of 236.11 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-cyclopropyl-1H-indole is sourced from PubChem (CID 130052143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).