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3-methyl-2-(oxan-4-yl)-1H-indole

C14H17NO — CID 156814176

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-methyl-2-(oxan-4-yl)-1H-indole
SMILESCc1c(C2CCOCC2)[nH]c2ccccc12
InChIInChI=1S/C14H17NO/c1-10-12-4-2-3-5-13(12)15-14(10)11-6-8-16-9-7-11/h2-5,11,15H,6-9H2,1H3
InChIKeyJTOFPKOSVGTBRC-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.37
Rot. Bonds1

About 3-methyl-2-(oxan-4-yl)-1H-indole

3-methyl-2-(oxan-4-yl)-1H-indole (PubChem CID 156814176) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-methyl-2-(oxan-4-yl)-1H-indole.

Molecular Properties

Compound Name3-methyl-2-(oxan-4-yl)-1H-indole
PubChem CID156814176
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name3-methyl-2-(oxan-4-yl)-1H-indole
SMILESCc1c(C2CCOCC2)[nH]c2ccccc12
InChIInChI=1S/C14H17NO/c1-10-12-4-2-3-5-13(12)15-14(10)11-6-8-16-9-7-11/h2-5,11,15H,6-9H2,1H3
InChIKeyJTOFPKOSVGTBRC-UHFFFAOYSA-N
XLogP3.37
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(oxan-4-yl)-1H-indole?
The IUPAC name of 3-methyl-2-(oxan-4-yl)-1H-indole (CID 156814176) is 3-methyl-2-(oxan-4-yl)-1H-indole.
What is the SMILES notation for 3-methyl-2-(oxan-4-yl)-1H-indole?
The canonical SMILES for 3-methyl-2-(oxan-4-yl)-1H-indole is Cc1c(C2CCOCC2)[nH]c2ccccc12.
What is the InChIKey of 3-methyl-2-(oxan-4-yl)-1H-indole?
The InChIKey is JTOFPKOSVGTBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-10-12-4-2-3-5-13(12)15-14(10)11-6-8-16-9-7-11/h2-5,11,15H,6-9H2,1H3.
What are the key properties of 3-methyl-2-(oxan-4-yl)-1H-indole?
3-methyl-2-(oxan-4-yl)-1H-indole has a molecular weight of 215.30 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(oxan-4-yl)-1H-indole is sourced from PubChem (CID 156814176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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