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

C21H15NO5 — CID 5273793

IUPAC10-(1,3-benzodioxol-5-yl)-8-methyl-9H-[1,3]benzodioxolo[7,6-f]isoindol-7-one
SMILESCN1Cc2c(cc3ccc4c(c3c2-c2ccc3c(c2)OCO3)OCO4)C1=O
InChIInChI=1S/C21H15NO5/c1-22-8-14-13(21(22)23)6-11-3-5-16-20(27-10-25-16)19(11)18(14)12-2-4-15-17(7-12)26-9-24-15/h2-7H,8-10H2,1H3
InChIKeyFOECDBYBLLSGEA-UHFFFAOYSA-N
MW361.35 g/mol
LogP3.55
Rot. Bonds1

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

10-(1,3-benzodioxol-5-yl)-8-methyl-9H-[1,3]benzodioxolo[7,6-f]isoindol-7-one (PubChem CID 5273793) has the molecular formula C21H15NO5 and a molecular weight of 361.35 g/mol. Its IUPAC name is 10-(1,3-benzodioxol-5-yl)-8-methyl-9H-[1,3]benzodioxolo[7,6-f]isoindol-7-one.

Molecular Properties

Compound Name10-(1,3-benzodioxol-5-yl)-8-methyl-9H-[1,3]benzodioxolo[7,6-f]isoindol-7-one
PubChem CID5273793
Molecular FormulaC21H15NO5
Molecular Weight361.35 g/mol
Exact Mass361.10
IUPAC Name10-(1,3-benzodioxol-5-yl)-8-methyl-9H-[1,3]benzodioxolo[7,6-f]isoindol-7-one
SMILESCN1Cc2c(cc3ccc4c(c3c2-c2ccc3c(c2)OCO3)OCO4)C1=O
InChIInChI=1S/C21H15NO5/c1-22-8-14-13(21(22)23)6-11-3-5-16-20(27-10-25-16)19(11)18(14)12-2-4-15-17(7-12)26-9-24-15/h2-7H,8-10H2,1H3
InChIKeyFOECDBYBLLSGEA-UHFFFAOYSA-N
XLogP3.55
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10-(1,3-benzodioxol-5-yl)-8-methyl-9H-[1,3]benzodioxolo[7,6-f]isoindol-7-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
10-(1,3-benzodioxol-5-yl)-7,8-dihydro-[1,3]benzodioxolo[6,7-f]isoindol-9-one
CID 5273790
9-(1,3-benzodioxol-5-yl)-4,6,7-trimethoxy-2-methyl-3H-benzo[f]isoindol-1-one
CID 90317230
10-(4-fluorophenyl)-8-hydroxy-[1,3]benzodioxolo[7,6-f]isoindole-7,9-dione
CID 101402576
9-(1,3-benzodioxol-5-yl)benzo[g][1,3]benzodioxole-7,8-dicarboxylic acid
CID 5273805
10-(1,3-benzodioxol-5-yl)-8-ethyl-[1,3]benzodioxolo[7,6-f]isoindol-7-ol
CID 54265756
11-(4-methoxyphenyl)-9,10-dihydro-8H-[1,3]benzodioxolo[7,6-g]isoquinolin-7-one
CID 19353326
4-(1,3-benzodioxol-5-yl)-6-hydroxy-5-methoxy-3H-benzo[f][2]benzofuran-1-one
CID 54081891
10-(4-fluorophenyl)-[1,3]benzodioxolo[7,6-f]isoindole-7,9-dione
CID 19353296
9-(1,3-benzodioxol-5-yl)-6-methylbenzo[g][1,3]benzodioxole-7,8-dicarboxylic acid
CID 70271057
10-(2-methylphenyl)-8,9-dihydro-[1,3]benzodioxolo[7,6-f]isoindol-7-one
CID 19353316
12-methoxy-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaene
CID 11726211

Frequently Asked Questions

What is the IUPAC name of 10-(1,3-benzodioxol-5-yl)-8-methyl-9H-[1,3]benzodioxolo[7,6-f]isoindol-7-one?
The IUPAC name of 10-(1,3-benzodioxol-5-yl)-8-methyl-9H-[1,3]benzodioxolo[7,6-f]isoindol-7-one (CID 5273793) is 10-(1,3-benzodioxol-5-yl)-8-methyl-9H-[1,3]benzodioxolo[7,6-f]isoindol-7-one.
What is the SMILES notation for 10-(1,3-benzodioxol-5-yl)-8-methyl-9H-[1,3]benzodioxolo[7,6-f]isoindol-7-one?
The canonical SMILES for 10-(1,3-benzodioxol-5-yl)-8-methyl-9H-[1,3]benzodioxolo[7,6-f]isoindol-7-one is CN1Cc2c(cc3ccc4c(c3c2-c2ccc3c(c2)OCO3)OCO4)C1=O.
What is the InChIKey of 10-(1,3-benzodioxol-5-yl)-8-methyl-9H-[1,3]benzodioxolo[7,6-f]isoindol-7-one?
The InChIKey is FOECDBYBLLSGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO5/c1-22-8-14-13(21(22)23)6-11-3-5-16-20(27-10-25-16)19(11)18(14)12-2-4-15-17(7-12)26-9-24-15/h2-7H,8-10H2,1H3.
What are the key properties of 10-(1,3-benzodioxol-5-yl)-8-methyl-9H-[1,3]benzodioxolo[7,6-f]isoindol-7-one?
10-(1,3-benzodioxol-5-yl)-8-methyl-9H-[1,3]benzodioxolo[7,6-f]isoindol-7-one has a molecular weight of 361.35 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(1,3-benzodioxol-5-yl)-8-methyl-9H-[1,3]benzodioxolo[7,6-f]isoindol-7-one is sourced from PubChem (CID 5273793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).