3-(6-hydroxy-1,3-benzodioxol-5-yl)-1,3-dihydroindol-2-one

C15H11NO4 — CID 58224166

IUPAC3-(6-hydroxy-1,3-benzodioxol-5-yl)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2C1c1cc2c(cc1O)OCO2
InChIInChI=1S/C15H11NO4/c17-11-6-13-12(19-7-20-13)5-9(11)14-8-3-1-2-4-10(8)16-15(14)18/h1-6,14,17H,7H2,(H,16,18)
InChIKeyDYKNSPFBRMMODE-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.20
Rot. Bonds1

About 3-(6-hydroxy-1,3-benzodioxol-5-yl)-1,3-dihydroindol-2-one

3-(6-hydroxy-1,3-benzodioxol-5-yl)-1,3-dihydroindol-2-one (PubChem CID 58224166) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 3-(6-hydroxy-1,3-benzodioxol-5-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(6-hydroxy-1,3-benzodioxol-5-yl)-1,3-dihydroindol-2-one
PubChem CID58224166
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name3-(6-hydroxy-1,3-benzodioxol-5-yl)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2C1c1cc2c(cc1O)OCO2
InChIInChI=1S/C15H11NO4/c17-11-6-13-12(19-7-20-13)5-9(11)14-8-3-1-2-4-10(8)16-15(14)18/h1-6,14,17H,7H2,(H,16,18)
InChIKeyDYKNSPFBRMMODE-UHFFFAOYSA-N
XLogP2.20
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-hydroxy-1,3-benzodioxol-5-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 3-(6-hydroxy-1,3-benzodioxol-5-yl)-1,3-dihydroindol-2-one (CID 58224166) is 3-(6-hydroxy-1,3-benzodioxol-5-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(6-hydroxy-1,3-benzodioxol-5-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(6-hydroxy-1,3-benzodioxol-5-yl)-1,3-dihydroindol-2-one is O=C1Nc2ccccc2C1c1cc2c(cc1O)OCO2.
What is the InChIKey of 3-(6-hydroxy-1,3-benzodioxol-5-yl)-1,3-dihydroindol-2-one?
The InChIKey is DYKNSPFBRMMODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c17-11-6-13-12(19-7-20-13)5-9(11)14-8-3-1-2-4-10(8)16-15(14)18/h1-6,14,17H,7H2,(H,16,18).
What are the key properties of 3-(6-hydroxy-1,3-benzodioxol-5-yl)-1,3-dihydroindol-2-one?
3-(6-hydroxy-1,3-benzodioxol-5-yl)-1,3-dihydroindol-2-one has a molecular weight of 269.26 g/mol, XLogP of 2.20, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-hydroxy-1,3-benzodioxol-5-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 58224166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).