3-(3-bromocyclopentyl)-1H-indole

C13H14BrN — CID 130527678

IUPAC3-(3-bromocyclopentyl)-1H-indole
SMILESBrC1CCC(c2c[nH]c3ccccc23)C1
InChIInChI=1S/C13H14BrN/c14-10-6-5-9(7-10)12-8-15-13-4-2-1-3-11(12)13/h1-4,8-10,15H,5-7H2
InChIKeyJZRSWLWYCZGYQQ-UHFFFAOYSA-N
MW264.17 g/mol
LogP4.20
Rot. Bonds1

About 3-(3-bromocyclopentyl)-1H-indole

3-(3-bromocyclopentyl)-1H-indole (PubChem CID 130527678) has the molecular formula C13H14BrN and a molecular weight of 264.17 g/mol. Its IUPAC name is 3-(3-bromocyclopentyl)-1H-indole.

Molecular Properties

Compound Name3-(3-bromocyclopentyl)-1H-indole
PubChem CID130527678
Molecular FormulaC13H14BrN
Molecular Weight264.17 g/mol
Exact Mass263.03
IUPAC Name3-(3-bromocyclopentyl)-1H-indole
SMILESBrC1CCC(c2c[nH]c3ccccc23)C1
InChIInChI=1S/C13H14BrN/c14-10-6-5-9(7-10)12-8-15-13-4-2-1-3-11(12)13/h1-4,8-10,15H,5-7H2
InChIKeyJZRSWLWYCZGYQQ-UHFFFAOYSA-N
XLogP4.20
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.17
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(1H-indol-3-yl)cyclopentan-1-amine
CID 22386576
2-(1H-indol-3-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 152768012
methane;3-piperidin-4-yl-1H-indole
CID 70444570
ethane;3-piperidin-4-yl-1H-indole
CID 91036207
3-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indole
CID 10037310
3-(oxolan-3-yl)-1H-indole
CID 146673552
3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride
CID 174560357
3-(1-methylpyrrolidin-3-yl)-1H-indole
CID 19337
3-[3-[4-(3-chlorophenyl)piperazin-1-yl]cyclopentyl]-1H-indole
CID 25165253
3-[1-(1,3-dihydroisoindol-2-ylmethyl)piperidin-4-yl]-1H-indole;methane
CID 158590362
methane;3-[1-[(4-phenylpiperidin-1-yl)methyl]piperidin-4-yl]-1H-indole
CID 160789149
4-(1H-indol-3-yl)azetidin-2-one
CID 55255346

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromocyclopentyl)-1H-indole?
The IUPAC name of 3-(3-bromocyclopentyl)-1H-indole (CID 130527678) is 3-(3-bromocyclopentyl)-1H-indole.
What is the SMILES notation for 3-(3-bromocyclopentyl)-1H-indole?
The canonical SMILES for 3-(3-bromocyclopentyl)-1H-indole is BrC1CCC(c2c[nH]c3ccccc23)C1.
What is the InChIKey of 3-(3-bromocyclopentyl)-1H-indole?
The InChIKey is JZRSWLWYCZGYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN/c14-10-6-5-9(7-10)12-8-15-13-4-2-1-3-11(12)13/h1-4,8-10,15H,5-7H2.
What are the key properties of 3-(3-bromocyclopentyl)-1H-indole?
3-(3-bromocyclopentyl)-1H-indole has a molecular weight of 264.17 g/mol, XLogP of 4.20, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromocyclopentyl)-1H-indole is sourced from PubChem (CID 130527678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).