3-bromo-2-cyclopropyl-4-methyl-1H-indole

C12H12BrN — CID 82382883

IUPAC3-bromo-2-cyclopropyl-4-methyl-1H-indole
SMILESCc1cccc2[nH]c(C3CC3)c(Br)c12
InChIInChI=1S/C12H12BrN/c1-7-3-2-4-9-10(7)11(13)12(14-9)8-5-6-8/h2-4,8,14H,5-6H2,1H3
InChIKeyROMNMXMCYPZETR-UHFFFAOYSA-N
MW250.14 g/mol
LogP4.12
Rot. Bonds1

About 3-bromo-2-cyclopropyl-4-methyl-1H-indole

3-bromo-2-cyclopropyl-4-methyl-1H-indole (PubChem CID 82382883) has the molecular formula C12H12BrN and a molecular weight of 250.14 g/mol. Its IUPAC name is 3-bromo-2-cyclopropyl-4-methyl-1H-indole.

Molecular Properties

Compound Name3-bromo-2-cyclopropyl-4-methyl-1H-indole
PubChem CID82382883
Molecular FormulaC12H12BrN
Molecular Weight250.14 g/mol
Exact Mass249.02
IUPAC Name3-bromo-2-cyclopropyl-4-methyl-1H-indole
SMILESCc1cccc2[nH]c(C3CC3)c(Br)c12
InChIInChI=1S/C12H12BrN/c1-7-3-2-4-9-10(7)11(13)12(14-9)8-5-6-8/h2-4,8,14H,5-6H2,1H3
InChIKeyROMNMXMCYPZETR-UHFFFAOYSA-N
XLogP4.12
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.14
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-cyclopropyl-4-methyl-1H-indole?
The IUPAC name of 3-bromo-2-cyclopropyl-4-methyl-1H-indole (CID 82382883) is 3-bromo-2-cyclopropyl-4-methyl-1H-indole.
What is the SMILES notation for 3-bromo-2-cyclopropyl-4-methyl-1H-indole?
The canonical SMILES for 3-bromo-2-cyclopropyl-4-methyl-1H-indole is Cc1cccc2[nH]c(C3CC3)c(Br)c12.
What is the InChIKey of 3-bromo-2-cyclopropyl-4-methyl-1H-indole?
The InChIKey is ROMNMXMCYPZETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN/c1-7-3-2-4-9-10(7)11(13)12(14-9)8-5-6-8/h2-4,8,14H,5-6H2,1H3.
What are the key properties of 3-bromo-2-cyclopropyl-4-methyl-1H-indole?
3-bromo-2-cyclopropyl-4-methyl-1H-indole has a molecular weight of 250.14 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-cyclopropyl-4-methyl-1H-indole is sourced from PubChem (CID 82382883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).