2-cyclononyl-3-methyl-1H-indole

C18H25N — CID 173177369

IUPAC2-cyclononyl-3-methyl-1H-indole
SMILESCc1c(C2CCCCCCCC2)[nH]c2ccccc12
InChIInChI=1S/C18H25N/c1-14-16-12-8-9-13-17(16)19-18(14)15-10-6-4-2-3-5-7-11-15/h8-9,12-13,15,19H,2-7,10-11H2,1H3
InChIKeyVVQLARHVGHLZGU-UHFFFAOYSA-N
MW255.41 g/mol
LogP5.69
Rot. Bonds1

About 2-cyclononyl-3-methyl-1H-indole

2-cyclononyl-3-methyl-1H-indole (PubChem CID 173177369) has the molecular formula C18H25N and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-cyclononyl-3-methyl-1H-indole.

Molecular Properties

Compound Name2-cyclononyl-3-methyl-1H-indole
PubChem CID173177369
Molecular FormulaC18H25N
Molecular Weight255.41 g/mol
Exact Mass255.20
IUPAC Name2-cyclononyl-3-methyl-1H-indole
SMILESCc1c(C2CCCCCCCC2)[nH]c2ccccc12
InChIInChI=1S/C18H25N/c1-14-16-12-8-9-13-17(16)19-18(14)15-10-6-4-2-3-5-7-11-15/h8-9,12-13,15,19H,2-7,10-11H2,1H3
InChIKeyVVQLARHVGHLZGU-UHFFFAOYSA-N
XLogP5.69
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.41
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-cyclononyl-3-methyl-1H-indole?
The IUPAC name of 2-cyclononyl-3-methyl-1H-indole (CID 173177369) is 2-cyclononyl-3-methyl-1H-indole.
What is the SMILES notation for 2-cyclononyl-3-methyl-1H-indole?
The canonical SMILES for 2-cyclononyl-3-methyl-1H-indole is Cc1c(C2CCCCCCCC2)[nH]c2ccccc12.
What is the InChIKey of 2-cyclononyl-3-methyl-1H-indole?
The InChIKey is VVQLARHVGHLZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N/c1-14-16-12-8-9-13-17(16)19-18(14)15-10-6-4-2-3-5-7-11-15/h8-9,12-13,15,19H,2-7,10-11H2,1H3.
What are the key properties of 2-cyclononyl-3-methyl-1H-indole?
2-cyclononyl-3-methyl-1H-indole has a molecular weight of 255.41 g/mol, XLogP of 5.69, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclononyl-3-methyl-1H-indole is sourced from PubChem (CID 173177369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).