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

C13H15NO — CID 174577844

IUPAC3-(oxan-2-yl)-1H-indole
SMILESc1ccc2c(C3CCCCO3)c[nH]c2c1
InChIInChI=1S/C13H15NO/c1-2-6-12-10(5-1)11(9-14-12)13-7-3-4-8-15-13/h1-2,5-6,9,13-14H,3-4,7-8H2
InChIKeySGIXYMSNLVQLHS-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.41
Rot. Bonds1

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

3-(oxan-2-yl)-1H-indole (PubChem CID 174577844) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-(oxan-2-yl)-1H-indole.

Molecular Properties

Compound Name3-(oxan-2-yl)-1H-indole
PubChem CID174577844
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name3-(oxan-2-yl)-1H-indole
SMILESc1ccc2c(C3CCCCO3)c[nH]c2c1
InChIInChI=1S/C13H15NO/c1-2-6-12-10(5-1)11(9-14-12)13-7-3-4-8-15-13/h1-2,5-6,9,13-14H,3-4,7-8H2
InChIKeySGIXYMSNLVQLHS-UHFFFAOYSA-N
XLogP3.41
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-yl)-1H-indole?
The IUPAC name of 3-(oxan-2-yl)-1H-indole (CID 174577844) is 3-(oxan-2-yl)-1H-indole.
What is the SMILES notation for 3-(oxan-2-yl)-1H-indole?
The canonical SMILES for 3-(oxan-2-yl)-1H-indole is c1ccc2c(C3CCCCO3)c[nH]c2c1.
What is the InChIKey of 3-(oxan-2-yl)-1H-indole?
The InChIKey is SGIXYMSNLVQLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-2-6-12-10(5-1)11(9-14-12)13-7-3-4-8-15-13/h1-2,5-6,9,13-14H,3-4,7-8H2.
What are the key properties of 3-(oxan-2-yl)-1H-indole?
3-(oxan-2-yl)-1H-indole has a molecular weight of 201.27 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-yl)-1H-indole is sourced from PubChem (CID 174577844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).