10-(1,3-benzodioxol-5-yl)-7,8-dihydro-[1,3]benzodioxolo[6,7-f]isoindol-9-one

C20H13NO5 — CID 5273790

IUPAC10-(1,3-benzodioxol-5-yl)-7,8-dihydro-[1,3]benzodioxolo[6,7-f]isoindol-9-one
SMILESO=C1NCc2cc3ccc4c(c3c(-c3ccc5c(c3)OCO5)c21)OCO4
InChIInChI=1S/C20H13NO5/c22-20-18-12(7-21-20)5-10-2-4-14-19(26-9-24-14)17(10)16(18)11-1-3-13-15(6-11)25-8-23-13/h1-6H,7-9H2,(H,21,22)
InChIKeyZEGRTXSXJBATQW-UHFFFAOYSA-N
MW347.33 g/mol
LogP3.21
Rot. Bonds1

About 10-(1,3-benzodioxol-5-yl)-7,8-dihydro-[1,3]benzodioxolo[6,7-f]isoindol-9-one

10-(1,3-benzodioxol-5-yl)-7,8-dihydro-[1,3]benzodioxolo[6,7-f]isoindol-9-one (PubChem CID 5273790) has the molecular formula C20H13NO5 and a molecular weight of 347.33 g/mol. Its IUPAC name is 10-(1,3-benzodioxol-5-yl)-7,8-dihydro-[1,3]benzodioxolo[6,7-f]isoindol-9-one.

Molecular Properties

Compound Name10-(1,3-benzodioxol-5-yl)-7,8-dihydro-[1,3]benzodioxolo[6,7-f]isoindol-9-one
PubChem CID5273790
Molecular FormulaC20H13NO5
Molecular Weight347.33 g/mol
Exact Mass347.08
IUPAC Name10-(1,3-benzodioxol-5-yl)-7,8-dihydro-[1,3]benzodioxolo[6,7-f]isoindol-9-one
SMILESO=C1NCc2cc3ccc4c(c3c(-c3ccc5c(c3)OCO5)c21)OCO4
InChIInChI=1S/C20H13NO5/c22-20-18-12(7-21-20)5-10-2-4-14-19(26-9-24-14)17(10)16(18)11-1-3-13-15(6-11)25-8-23-13/h1-6H,7-9H2,(H,21,22)
InChIKeyZEGRTXSXJBATQW-UHFFFAOYSA-N
XLogP3.21
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 10-(1,3-benzodioxol-5-yl)-7,8-dihydro-[1,3]benzodioxolo[6,7-f]isoindol-9-one with MolForge

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Related Compounds

11-(1,3-benzodioxol-5-yl)-8,9-dihydro-[1,3]benzodioxolo[7,6-g]phthalazine-7,10-dione
CID 6320331
9-(1,3-benzodioxol-5-yl)benzo[g][1,3]benzodioxole-7,8-dicarboxylic acid
CID 5273805
6,7-dihydro-[1,3]dioxolo[4,5-g]isoindol-8-one
CID 71303966
10-(4-fluorophenyl)-[1,3]benzodioxolo[7,6-f]isoindole-7,9-dione
CID 19353296
10-(1,3-benzodioxol-5-yl)-8-methyl-9H-[1,3]benzodioxolo[7,6-f]isoindol-7-one
CID 5273793
10-(2-methylphenyl)-8,9-dihydro-[1,3]benzodioxolo[7,6-f]isoindol-7-one
CID 19353316
6-ethyl-8,9-dihydro-[1,3]benzodioxolo[7,6-f]isoindol-7-one
CID 57310561
10-(4-fluorophenyl)-8-hydroxy-[1,3]benzodioxolo[7,6-f]isoindole-7,9-dione
CID 101402576
11-(4-methoxyphenyl)-9,10-dihydro-8H-[1,3]benzodioxolo[7,6-g]isoquinolin-7-one
CID 19353326
10-cyclohexyl-8,9-dihydro-[1,3]benzodioxolo[7,6-f]isoindol-7-one
CID 86189789
methyl 9-(1,3-benzodioxol-5-yl)-8-(methylsulfonyloxymethyl)benzo[g][1,3]benzodioxole-7-carboxylate
CID 18325108
4-(1,3-benzodioxol-5-yl)-5,6-dimethoxy-1H-benzo[f][2]benzofuran-3-one
CID 11122050

Frequently Asked Questions

What is the IUPAC name of 10-(1,3-benzodioxol-5-yl)-7,8-dihydro-[1,3]benzodioxolo[6,7-f]isoindol-9-one?
The IUPAC name of 10-(1,3-benzodioxol-5-yl)-7,8-dihydro-[1,3]benzodioxolo[6,7-f]isoindol-9-one (CID 5273790) is 10-(1,3-benzodioxol-5-yl)-7,8-dihydro-[1,3]benzodioxolo[6,7-f]isoindol-9-one.
What is the SMILES notation for 10-(1,3-benzodioxol-5-yl)-7,8-dihydro-[1,3]benzodioxolo[6,7-f]isoindol-9-one?
The canonical SMILES for 10-(1,3-benzodioxol-5-yl)-7,8-dihydro-[1,3]benzodioxolo[6,7-f]isoindol-9-one is O=C1NCc2cc3ccc4c(c3c(-c3ccc5c(c3)OCO5)c21)OCO4.
What is the InChIKey of 10-(1,3-benzodioxol-5-yl)-7,8-dihydro-[1,3]benzodioxolo[6,7-f]isoindol-9-one?
The InChIKey is ZEGRTXSXJBATQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO5/c22-20-18-12(7-21-20)5-10-2-4-14-19(26-9-24-14)17(10)16(18)11-1-3-13-15(6-11)25-8-23-13/h1-6H,7-9H2,(H,21,22).
What are the key properties of 10-(1,3-benzodioxol-5-yl)-7,8-dihydro-[1,3]benzodioxolo[6,7-f]isoindol-9-one?
10-(1,3-benzodioxol-5-yl)-7,8-dihydro-[1,3]benzodioxolo[6,7-f]isoindol-9-one has a molecular weight of 347.33 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(1,3-benzodioxol-5-yl)-7,8-dihydro-[1,3]benzodioxolo[6,7-f]isoindol-9-one is sourced from PubChem (CID 5273790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).