7-bromo-3-(4-methylcyclohexyl)-1H-indole

C15H18BrN — CID 106985061

IUPAC7-bromo-3-(4-methylcyclohexyl)-1H-indole
SMILESCC1CCC(c2c[nH]c3c(Br)cccc23)CC1
InChIInChI=1S/C15H18BrN/c1-10-5-7-11(8-6-10)13-9-17-15-12(13)3-2-4-14(15)16/h2-4,9-11,17H,5-8H2,1H3
InChIKeyCNQRZZGFOSSYTC-UHFFFAOYSA-N
MW292.22 g/mol
LogP5.22
Rot. Bonds1

About 7-bromo-3-(4-methylcyclohexyl)-1H-indole

7-bromo-3-(4-methylcyclohexyl)-1H-indole (PubChem CID 106985061) has the molecular formula C15H18BrN and a molecular weight of 292.22 g/mol. Its IUPAC name is 7-bromo-3-(4-methylcyclohexyl)-1H-indole.

Molecular Properties

Compound Name7-bromo-3-(4-methylcyclohexyl)-1H-indole
PubChem CID106985061
Molecular FormulaC15H18BrN
Molecular Weight292.22 g/mol
Exact Mass291.06
IUPAC Name7-bromo-3-(4-methylcyclohexyl)-1H-indole
SMILESCC1CCC(c2c[nH]c3c(Br)cccc23)CC1
InChIInChI=1S/C15H18BrN/c1-10-5-7-11(8-6-10)13-9-17-15-12(13)3-2-4-14(15)16/h2-4,9-11,17H,5-8H2,1H3
InChIKeyCNQRZZGFOSSYTC-UHFFFAOYSA-N
XLogP5.22
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.22
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(4-methylcyclohexyl)-1H-indole?
The IUPAC name of 7-bromo-3-(4-methylcyclohexyl)-1H-indole (CID 106985061) is 7-bromo-3-(4-methylcyclohexyl)-1H-indole.
What is the SMILES notation for 7-bromo-3-(4-methylcyclohexyl)-1H-indole?
The canonical SMILES for 7-bromo-3-(4-methylcyclohexyl)-1H-indole is CC1CCC(c2c[nH]c3c(Br)cccc23)CC1.
What is the InChIKey of 7-bromo-3-(4-methylcyclohexyl)-1H-indole?
The InChIKey is CNQRZZGFOSSYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN/c1-10-5-7-11(8-6-10)13-9-17-15-12(13)3-2-4-14(15)16/h2-4,9-11,17H,5-8H2,1H3.
What are the key properties of 7-bromo-3-(4-methylcyclohexyl)-1H-indole?
7-bromo-3-(4-methylcyclohexyl)-1H-indole has a molecular weight of 292.22 g/mol, XLogP of 5.22, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(4-methylcyclohexyl)-1H-indole is sourced from PubChem (CID 106985061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).