5-bromo-1-(cyclobutylmethyl)indole

C13H14BrN — CID 116619741

IUPAC5-bromo-1-(cyclobutylmethyl)indole
SMILESBrc1ccc2c(ccn2CC2CCC2)c1
InChIInChI=1S/C13H14BrN/c14-12-4-5-13-11(8-12)6-7-15(13)9-10-2-1-3-10/h4-8,10H,1-3,9H2
InChIKeyZKAIZKIUXYAGGJ-UHFFFAOYSA-N
MW264.17 g/mol
LogP4.20
Rot. Bonds2

About 5-bromo-1-(cyclobutylmethyl)indole

5-bromo-1-(cyclobutylmethyl)indole (PubChem CID 116619741) has the molecular formula C13H14BrN and a molecular weight of 264.17 g/mol. Its IUPAC name is 5-bromo-1-(cyclobutylmethyl)indole.

Molecular Properties

Compound Name5-bromo-1-(cyclobutylmethyl)indole
PubChem CID116619741
Molecular FormulaC13H14BrN
Molecular Weight264.17 g/mol
Exact Mass263.03
IUPAC Name5-bromo-1-(cyclobutylmethyl)indole
SMILESBrc1ccc2c(ccn2CC2CCC2)c1
InChIInChI=1S/C13H14BrN/c14-12-4-5-13-11(8-12)6-7-15(13)9-10-2-1-3-10/h4-8,10H,1-3,9H2
InChIKeyZKAIZKIUXYAGGJ-UHFFFAOYSA-N
XLogP4.20
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.17
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-1-(oxan-4-ylmethyl)indole
CID 116619540
[1-(cyclobutylmethyl)indol-5-yl]methanol
CID 117118884
1-(cyclohexylmethyl)indole-5-carbaldehyde
CID 102910537
2-[1-(cyclopentylmethyl)indol-5-yl]ethanol
CID 115106761
1-[1-(cyclobutylmethyl)indol-5-yl]propan-2-ol
CID 115106760
1-(cyclobutylmethyl)indol-6-amine
CID 65457807
5-bromo-1-[(5,5-dimethyloxolan-2-yl)methyl]indole
CID 116619600
1-(cyclopentylmethyl)-5-propan-2-yloxyindole
CID 116625784
1-[1-(cyclopentylmethyl)indol-5-yl]propan-2-ol
CID 115106762
2-[1-(cyclopropylmethyl)indol-5-yl]ethanamine
CID 115106812
2-(5-bromoindol-1-yl)-N-(dicyclopropylmethyl)ethanamine
CID 62564077
1-[(4,4-difluorocyclohexyl)methyl]indol-5-amine
CID 156881348

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(cyclobutylmethyl)indole?
The IUPAC name of 5-bromo-1-(cyclobutylmethyl)indole (CID 116619741) is 5-bromo-1-(cyclobutylmethyl)indole.
What is the SMILES notation for 5-bromo-1-(cyclobutylmethyl)indole?
The canonical SMILES for 5-bromo-1-(cyclobutylmethyl)indole is Brc1ccc2c(ccn2CC2CCC2)c1.
What is the InChIKey of 5-bromo-1-(cyclobutylmethyl)indole?
The InChIKey is ZKAIZKIUXYAGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN/c14-12-4-5-13-11(8-12)6-7-15(13)9-10-2-1-3-10/h4-8,10H,1-3,9H2.
What are the key properties of 5-bromo-1-(cyclobutylmethyl)indole?
5-bromo-1-(cyclobutylmethyl)indole has a molecular weight of 264.17 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(cyclobutylmethyl)indole is sourced from PubChem (CID 116619741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).