5-bromo-3-(cyclobutylmethyl)-1H-indole

C13H14BrN — CID 106985526

IUPAC5-bromo-3-(cyclobutylmethyl)-1H-indole
SMILESBrc1ccc2[nH]cc(CC3CCC3)c2c1
InChIInChI=1S/C13H14BrN/c14-11-4-5-13-12(7-11)10(8-15-13)6-9-2-1-3-9/h4-5,7-9,15H,1-3,6H2
InChIKeySECHPZFEAIQVDM-UHFFFAOYSA-N
MW264.17 g/mol
LogP4.27
Rot. Bonds2

About 5-bromo-3-(cyclobutylmethyl)-1H-indole

5-bromo-3-(cyclobutylmethyl)-1H-indole (PubChem CID 106985526) has the molecular formula C13H14BrN and a molecular weight of 264.17 g/mol. Its IUPAC name is 5-bromo-3-(cyclobutylmethyl)-1H-indole.

Molecular Properties

Compound Name5-bromo-3-(cyclobutylmethyl)-1H-indole
PubChem CID106985526
Molecular FormulaC13H14BrN
Molecular Weight264.17 g/mol
Exact Mass263.03
IUPAC Name5-bromo-3-(cyclobutylmethyl)-1H-indole
SMILESBrc1ccc2[nH]cc(CC3CCC3)c2c1
InChIInChI=1S/C13H14BrN/c14-11-4-5-13-12(7-11)10(8-15-13)6-9-2-1-3-9/h4-5,7-9,15H,1-3,6H2
InChIKeySECHPZFEAIQVDM-UHFFFAOYSA-N
XLogP4.27
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.17
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

5-bromo-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
CID 15521562
1-(5-bromo-1H-indol-3-yl)-2-cyclobutylethanone
CID 103162405
3-[(5-bromo-1H-indol-3-yl)methyl]piperidin-4-ol
CID 84645179
5-bromo-3-(chloromethyl)-1H-indole
CID 66854082
5-bromo-3-(piperazin-2-ylmethyl)-1H-indole
CID 84644063
5-bromo-3-cyclopropyl-1H-indole
CID 103863095
5-methyl-3-(piperidin-4-ylmethyl)-1H-indole
CID 82494836
5-[2-bromo-6-(trifluoromethyl)phenoxy]-3-(cyclobutylmethyl)-1H-indole
CID 173238321
N-[(5-bromo-1H-indol-3-yl)methyl]hydroxylamine
CID 82622001
2-(5-bromo-1H-indol-3-yl)acetaldehyde
CID 20623493
2-(5-bromo-1H-indol-3-yl)ethanamine;methane
CID 139467696
(S)-(5-bromo-1H-indol-3-yl)-cyclobutylmethanamine
CID 95431608

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(cyclobutylmethyl)-1H-indole?
The IUPAC name of 5-bromo-3-(cyclobutylmethyl)-1H-indole (CID 106985526) is 5-bromo-3-(cyclobutylmethyl)-1H-indole.
What is the SMILES notation for 5-bromo-3-(cyclobutylmethyl)-1H-indole?
The canonical SMILES for 5-bromo-3-(cyclobutylmethyl)-1H-indole is Brc1ccc2[nH]cc(CC3CCC3)c2c1.
What is the InChIKey of 5-bromo-3-(cyclobutylmethyl)-1H-indole?
The InChIKey is SECHPZFEAIQVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN/c14-11-4-5-13-12(7-11)10(8-15-13)6-9-2-1-3-9/h4-5,7-9,15H,1-3,6H2.
What are the key properties of 5-bromo-3-(cyclobutylmethyl)-1H-indole?
5-bromo-3-(cyclobutylmethyl)-1H-indole has a molecular weight of 264.17 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(cyclobutylmethyl)-1H-indole is sourced from PubChem (CID 106985526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).