10-cyclohexyl-8,9-dihydro-[1,3]benzodioxolo[7,6-f]isoindol-7-one

C19H19NO3 — CID 86189789

IUPAC10-cyclohexyl-8,9-dihydro-[1,3]benzodioxolo[7,6-f]isoindol-7-one
SMILESO=C1NCc2c1cc1ccc3c(c1c2C1CCCCC1)OCO3
InChIInChI=1S/C19H19NO3/c21-19-13-8-12-6-7-15-18(23-10-22-15)17(12)16(14(13)9-20-19)11-4-2-1-3-5-11/h6-8,11H,1-5,9-10H2,(H,20,21)
InChIKeyYDIWAAYBINCOLV-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.86
Rot. Bonds1

About 10-cyclohexyl-8,9-dihydro-[1,3]benzodioxolo[7,6-f]isoindol-7-one

10-cyclohexyl-8,9-dihydro-[1,3]benzodioxolo[7,6-f]isoindol-7-one (PubChem CID 86189789) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 10-cyclohexyl-8,9-dihydro-[1,3]benzodioxolo[7,6-f]isoindol-7-one.

Molecular Properties

Compound Name10-cyclohexyl-8,9-dihydro-[1,3]benzodioxolo[7,6-f]isoindol-7-one
PubChem CID86189789
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name10-cyclohexyl-8,9-dihydro-[1,3]benzodioxolo[7,6-f]isoindol-7-one
SMILESO=C1NCc2c1cc1ccc3c(c1c2C1CCCCC1)OCO3
InChIInChI=1S/C19H19NO3/c21-19-13-8-12-6-7-15-18(23-10-22-15)17(12)16(14(13)9-20-19)11-4-2-1-3-5-11/h6-8,11H,1-5,9-10H2,(H,20,21)
InChIKeyYDIWAAYBINCOLV-UHFFFAOYSA-N
XLogP3.86
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-cyclohexyl-8,9-dihydro-[1,3]benzodioxolo[7,6-f]isoindol-7-one?
The IUPAC name of 10-cyclohexyl-8,9-dihydro-[1,3]benzodioxolo[7,6-f]isoindol-7-one (CID 86189789) is 10-cyclohexyl-8,9-dihydro-[1,3]benzodioxolo[7,6-f]isoindol-7-one.
What is the SMILES notation for 10-cyclohexyl-8,9-dihydro-[1,3]benzodioxolo[7,6-f]isoindol-7-one?
The canonical SMILES for 10-cyclohexyl-8,9-dihydro-[1,3]benzodioxolo[7,6-f]isoindol-7-one is O=C1NCc2c1cc1ccc3c(c1c2C1CCCCC1)OCO3.
What is the InChIKey of 10-cyclohexyl-8,9-dihydro-[1,3]benzodioxolo[7,6-f]isoindol-7-one?
The InChIKey is YDIWAAYBINCOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c21-19-13-8-12-6-7-15-18(23-10-22-15)17(12)16(14(13)9-20-19)11-4-2-1-3-5-11/h6-8,11H,1-5,9-10H2,(H,20,21).
What are the key properties of 10-cyclohexyl-8,9-dihydro-[1,3]benzodioxolo[7,6-f]isoindol-7-one?
10-cyclohexyl-8,9-dihydro-[1,3]benzodioxolo[7,6-f]isoindol-7-one has a molecular weight of 309.37 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-cyclohexyl-8,9-dihydro-[1,3]benzodioxolo[7,6-f]isoindol-7-one is sourced from PubChem (CID 86189789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).