2-(1,3-benzodioxol-5-yloxy)-1-(2,3-dihydroindol-1-yl)ethanone

C17H15NO4 — CID 729274

IUPAC2-(1,3-benzodioxol-5-yloxy)-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(COc1ccc2c(c1)OCO2)N1CCc2ccccc21
InChIInChI=1S/C17H15NO4/c19-17(18-8-7-12-3-1-2-4-14(12)18)10-20-13-5-6-15-16(9-13)22-11-21-15/h1-6,9H,7-8,10-11H2
InChIKeyWISWKZQTRBPQPP-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.38
Rot. Bonds3

About 2-(1,3-benzodioxol-5-yloxy)-1-(2,3-dihydroindol-1-yl)ethanone

2-(1,3-benzodioxol-5-yloxy)-1-(2,3-dihydroindol-1-yl)ethanone (PubChem CID 729274) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-1-(2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-1-(2,3-dihydroindol-1-yl)ethanone
PubChem CID729274
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(COc1ccc2c(c1)OCO2)N1CCc2ccccc21
InChIInChI=1S/C17H15NO4/c19-17(18-8-7-12-3-1-2-4-14(12)18)10-20-13-5-6-15-16(9-13)22-11-21-15/h1-6,9H,7-8,10-11H2
InChIKeyWISWKZQTRBPQPP-UHFFFAOYSA-N
XLogP2.38
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-1-(2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-1-(2,3-dihydroindol-1-yl)ethanone (CID 729274) is 2-(1,3-benzodioxol-5-yloxy)-1-(2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-1-(2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-1-(2,3-dihydroindol-1-yl)ethanone is O=C(COc1ccc2c(c1)OCO2)N1CCc2ccccc21.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-1-(2,3-dihydroindol-1-yl)ethanone?
The InChIKey is WISWKZQTRBPQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c19-17(18-8-7-12-3-1-2-4-14(12)18)10-20-13-5-6-15-16(9-13)22-11-21-15/h1-6,9H,7-8,10-11H2.
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-1-(2,3-dihydroindol-1-yl)ethanone?
2-(1,3-benzodioxol-5-yloxy)-1-(2,3-dihydroindol-1-yl)ethanone has a molecular weight of 297.31 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxy)-1-(2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 729274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).