2-(1-methylcycloheptyl)-1H-indole

C16H21N — CID 173176974

IUPAC2-(1-methylcycloheptyl)-1H-indole
SMILESCC1(c2cc3ccccc3[nH]2)CCCCCC1
InChIInChI=1S/C16H21N/c1-16(10-6-2-3-7-11-16)15-12-13-8-4-5-9-14(13)17-15/h4-5,8-9,12,17H,2-3,6-7,10-11H2,1H3
InChIKeyWDJXTIUIQJJGLJ-UHFFFAOYSA-N
MW227.35 g/mol
LogP4.78
Rot. Bonds1

About 2-(1-methylcycloheptyl)-1H-indole

2-(1-methylcycloheptyl)-1H-indole (PubChem CID 173176974) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-(1-methylcycloheptyl)-1H-indole.

Molecular Properties

Compound Name2-(1-methylcycloheptyl)-1H-indole
PubChem CID173176974
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name2-(1-methylcycloheptyl)-1H-indole
SMILESCC1(c2cc3ccccc3[nH]2)CCCCCC1
InChIInChI=1S/C16H21N/c1-16(10-6-2-3-7-11-16)15-12-13-8-4-5-9-14(13)17-15/h4-5,8-9,12,17H,2-3,6-7,10-11H2,1H3
InChIKeyWDJXTIUIQJJGLJ-UHFFFAOYSA-N
XLogP4.78
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylcycloheptyl)-1H-indole?
The IUPAC name of 2-(1-methylcycloheptyl)-1H-indole (CID 173176974) is 2-(1-methylcycloheptyl)-1H-indole.
What is the SMILES notation for 2-(1-methylcycloheptyl)-1H-indole?
The canonical SMILES for 2-(1-methylcycloheptyl)-1H-indole is CC1(c2cc3ccccc3[nH]2)CCCCCC1.
What is the InChIKey of 2-(1-methylcycloheptyl)-1H-indole?
The InChIKey is WDJXTIUIQJJGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-16(10-6-2-3-7-11-16)15-12-13-8-4-5-9-14(13)17-15/h4-5,8-9,12,17H,2-3,6-7,10-11H2,1H3.
What are the key properties of 2-(1-methylcycloheptyl)-1H-indole?
2-(1-methylcycloheptyl)-1H-indole has a molecular weight of 227.35 g/mol, XLogP of 4.78, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylcycloheptyl)-1H-indole is sourced from PubChem (CID 173176974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).