6-bromo-3-cyclopropyl-7-methyl-1H-indole

C12H12BrN — CID 130049631

IUPAC6-bromo-3-cyclopropyl-7-methyl-1H-indole
SMILESCc1c(Br)ccc2c(C3CC3)c[nH]c12
InChIInChI=1S/C12H12BrN/c1-7-11(13)5-4-9-10(8-2-3-8)6-14-12(7)9/h4-6,8,14H,2-3H2,1H3
InChIKeyHLRWTTWZIQAUBG-UHFFFAOYSA-N
MW250.14 g/mol
LogP4.12
Rot. Bonds1

About 6-bromo-3-cyclopropyl-7-methyl-1H-indole

6-bromo-3-cyclopropyl-7-methyl-1H-indole (PubChem CID 130049631) has the molecular formula C12H12BrN and a molecular weight of 250.14 g/mol. Its IUPAC name is 6-bromo-3-cyclopropyl-7-methyl-1H-indole.

Molecular Properties

Compound Name6-bromo-3-cyclopropyl-7-methyl-1H-indole
PubChem CID130049631
Molecular FormulaC12H12BrN
Molecular Weight250.14 g/mol
Exact Mass249.02
IUPAC Name6-bromo-3-cyclopropyl-7-methyl-1H-indole
SMILESCc1c(Br)ccc2c(C3CC3)c[nH]c12
InChIInChI=1S/C12H12BrN/c1-7-11(13)5-4-9-10(8-2-3-8)6-14-12(7)9/h4-6,8,14H,2-3H2,1H3
InChIKeyHLRWTTWZIQAUBG-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 6-bromo-3-cyclopropyl-7-methyl-1H-indole?
The IUPAC name of 6-bromo-3-cyclopropyl-7-methyl-1H-indole (CID 130049631) is 6-bromo-3-cyclopropyl-7-methyl-1H-indole.
What is the SMILES notation for 6-bromo-3-cyclopropyl-7-methyl-1H-indole?
The canonical SMILES for 6-bromo-3-cyclopropyl-7-methyl-1H-indole is Cc1c(Br)ccc2c(C3CC3)c[nH]c12.
What is the InChIKey of 6-bromo-3-cyclopropyl-7-methyl-1H-indole?
The InChIKey is HLRWTTWZIQAUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN/c1-7-11(13)5-4-9-10(8-2-3-8)6-14-12(7)9/h4-6,8,14H,2-3H2,1H3.
What are the key properties of 6-bromo-3-cyclopropyl-7-methyl-1H-indole?
6-bromo-3-cyclopropyl-7-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 6-bromo-3-cyclopropyl-7-methyl-1H-indole is sourced from PubChem (CID 130049631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).