7-bromo-3-(3-methylcyclopentyl)-1H-indole

C14H16BrN — CID 106985334

IUPAC7-bromo-3-(3-methylcyclopentyl)-1H-indole
SMILESCC1CCC(c2c[nH]c3c(Br)cccc23)C1
InChIInChI=1S/C14H16BrN/c1-9-5-6-10(7-9)12-8-16-14-11(12)3-2-4-13(14)15/h2-4,8-10,16H,5-7H2,1H3
InChIKeyDBXROKHSAJMXAX-UHFFFAOYSA-N
MW278.19 g/mol
LogP4.83
Rot. Bonds1

About 7-bromo-3-(3-methylcyclopentyl)-1H-indole

7-bromo-3-(3-methylcyclopentyl)-1H-indole (PubChem CID 106985334) has the molecular formula C14H16BrN and a molecular weight of 278.19 g/mol. Its IUPAC name is 7-bromo-3-(3-methylcyclopentyl)-1H-indole.

Molecular Properties

Compound Name7-bromo-3-(3-methylcyclopentyl)-1H-indole
PubChem CID106985334
Molecular FormulaC14H16BrN
Molecular Weight278.19 g/mol
Exact Mass277.05
IUPAC Name7-bromo-3-(3-methylcyclopentyl)-1H-indole
SMILESCC1CCC(c2c[nH]c3c(Br)cccc23)C1
InChIInChI=1S/C14H16BrN/c1-9-5-6-10(7-9)12-8-16-14-11(12)3-2-4-13(14)15/h2-4,8-10,16H,5-7H2,1H3
InChIKeyDBXROKHSAJMXAX-UHFFFAOYSA-N
XLogP4.83
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

7-bromo-3-(4-methylcyclohexyl)-1H-indole
CID 106985061
7-methyl-3-(3-methylcyclopentyl)-1H-indole
CID 106985330
7-bromo-3-(4-tert-butylcyclohexyl)-1H-indole
CID 106985296
7-methyl-3-(4-methylcyclohexyl)-1H-indole
CID 106985057
3-(2-bicyclo[2.2.1]heptanyl)-7-bromo-1H-indole
CID 106985399
6-bromo-3-cyclopropyl-7-methyl-1H-indole
CID 130049631
trans-(1R,3R)-3-(7-chloro-1H-indol-3-yl)cyclopentan-1-amine;dihydrochloride
CID 118994206
3-cyclopentyl-7-methyl-1H-indole
CID 106985483
3-(4-tert-butylcyclohexyl)-7-fluoro-1H-indole
CID 106985289
7-chloro-3-piperidin-4-yl-1H-indole
CID 12072036
7-bromo-3-tert-butyl-1H-indole
CID 106985255
7-bromo-3-propan-2-yl-1H-indole
CID 106985591

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(3-methylcyclopentyl)-1H-indole?
The IUPAC name of 7-bromo-3-(3-methylcyclopentyl)-1H-indole (CID 106985334) is 7-bromo-3-(3-methylcyclopentyl)-1H-indole.
What is the SMILES notation for 7-bromo-3-(3-methylcyclopentyl)-1H-indole?
The canonical SMILES for 7-bromo-3-(3-methylcyclopentyl)-1H-indole is CC1CCC(c2c[nH]c3c(Br)cccc23)C1.
What is the InChIKey of 7-bromo-3-(3-methylcyclopentyl)-1H-indole?
The InChIKey is DBXROKHSAJMXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN/c1-9-5-6-10(7-9)12-8-16-14-11(12)3-2-4-13(14)15/h2-4,8-10,16H,5-7H2,1H3.
What are the key properties of 7-bromo-3-(3-methylcyclopentyl)-1H-indole?
7-bromo-3-(3-methylcyclopentyl)-1H-indole has a molecular weight of 278.19 g/mol, XLogP of 4.83, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(3-methylcyclopentyl)-1H-indole is sourced from PubChem (CID 106985334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).