6-(oxolan-3-yloxy)-2-propan-2-yl-2,3-dihydro-1H-indole

C15H21NO2 — CID 20766263

IUPAC6-(oxolan-3-yloxy)-2-propan-2-yl-2,3-dihydro-1H-indole
SMILESCC(C)C1Cc2ccc(OC3CCOC3)cc2N1
InChIInChI=1S/C15H21NO2/c1-10(2)14-7-11-3-4-12(8-15(11)16-14)18-13-5-6-17-9-13/h3-4,8,10,13-14,16H,5-7,9H2,1-2H3
InChIKeyLQTZIPJMJTUYMK-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.85
Rot. Bonds3

About 6-(oxolan-3-yloxy)-2-propan-2-yl-2,3-dihydro-1H-indole

6-(oxolan-3-yloxy)-2-propan-2-yl-2,3-dihydro-1H-indole (PubChem CID 20766263) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 6-(oxolan-3-yloxy)-2-propan-2-yl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name6-(oxolan-3-yloxy)-2-propan-2-yl-2,3-dihydro-1H-indole
PubChem CID20766263
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name6-(oxolan-3-yloxy)-2-propan-2-yl-2,3-dihydro-1H-indole
SMILESCC(C)C1Cc2ccc(OC3CCOC3)cc2N1
InChIInChI=1S/C15H21NO2/c1-10(2)14-7-11-3-4-12(8-15(11)16-14)18-13-5-6-17-9-13/h3-4,8,10,13-14,16H,5-7,9H2,1-2H3
InChIKeyLQTZIPJMJTUYMK-UHFFFAOYSA-N
XLogP2.85
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(oxolan-3-yloxy)-2-propan-2-yl-2,3-dihydro-1H-indole?
The IUPAC name of 6-(oxolan-3-yloxy)-2-propan-2-yl-2,3-dihydro-1H-indole (CID 20766263) is 6-(oxolan-3-yloxy)-2-propan-2-yl-2,3-dihydro-1H-indole.
What is the SMILES notation for 6-(oxolan-3-yloxy)-2-propan-2-yl-2,3-dihydro-1H-indole?
The canonical SMILES for 6-(oxolan-3-yloxy)-2-propan-2-yl-2,3-dihydro-1H-indole is CC(C)C1Cc2ccc(OC3CCOC3)cc2N1.
What is the InChIKey of 6-(oxolan-3-yloxy)-2-propan-2-yl-2,3-dihydro-1H-indole?
The InChIKey is LQTZIPJMJTUYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10(2)14-7-11-3-4-12(8-15(11)16-14)18-13-5-6-17-9-13/h3-4,8,10,13-14,16H,5-7,9H2,1-2H3.
What are the key properties of 6-(oxolan-3-yloxy)-2-propan-2-yl-2,3-dihydro-1H-indole?
6-(oxolan-3-yloxy)-2-propan-2-yl-2,3-dihydro-1H-indole has a molecular weight of 247.34 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxolan-3-yloxy)-2-propan-2-yl-2,3-dihydro-1H-indole is sourced from PubChem (CID 20766263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).