2-cyclohexyl-1H-indole

C14H17N — CID 607977

IUPAC2-cyclohexyl-1H-indole
SMILESc1ccc2[nH]c(C3CCCCC3)cc2c1
InChIInChI=1S/C14H17N/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14/h4-5,8-11,15H,1-3,6-7H2
InChIKeyKAKRLZGEKPHQCO-UHFFFAOYSA-N
MW199.30 g/mol
LogP4.22
Rot. Bonds1

About 2-cyclohexyl-1H-indole

2-cyclohexyl-1H-indole (PubChem CID 607977) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-cyclohexyl-1H-indole.

Molecular Properties

Compound Name2-cyclohexyl-1H-indole
PubChem CID607977
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name2-cyclohexyl-1H-indole
SMILESc1ccc2[nH]c(C3CCCCC3)cc2c1
InChIInChI=1S/C14H17N/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14/h4-5,8-11,15H,1-3,6-7H2
InChIKeyKAKRLZGEKPHQCO-UHFFFAOYSA-N
XLogP4.22
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1H-indole?
The IUPAC name of 2-cyclohexyl-1H-indole (CID 607977) is 2-cyclohexyl-1H-indole.
What is the SMILES notation for 2-cyclohexyl-1H-indole?
The canonical SMILES for 2-cyclohexyl-1H-indole is c1ccc2[nH]c(C3CCCCC3)cc2c1.
What is the InChIKey of 2-cyclohexyl-1H-indole?
The InChIKey is KAKRLZGEKPHQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14/h4-5,8-11,15H,1-3,6-7H2.
What are the key properties of 2-cyclohexyl-1H-indole?
2-cyclohexyl-1H-indole has a molecular weight of 199.30 g/mol, XLogP of 4.22, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1H-indole is sourced from PubChem (CID 607977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).