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

C15H13NO3 — CID 57310561

IUPAC6-ethyl-8,9-dihydro-[1,3]benzodioxolo[7,6-f]isoindol-7-one
SMILESCCc1c2c(cc3c4c(ccc13)OCO4)CNC2=O
InChIInChI=1S/C15H13NO3/c1-2-9-10-3-4-12-14(19-7-18-12)11(10)5-8-6-16-15(17)13(8)9/h3-5H,2,6-7H2,1H3,(H,16,17)
InChIKeyCODXFGQHSUXJDY-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.37
Rot. Bonds1

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

6-ethyl-8,9-dihydro-[1,3]benzodioxolo[7,6-f]isoindol-7-one (PubChem CID 57310561) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 6-ethyl-8,9-dihydro-[1,3]benzodioxolo[7,6-f]isoindol-7-one.

Molecular Properties

Compound Name6-ethyl-8,9-dihydro-[1,3]benzodioxolo[7,6-f]isoindol-7-one
PubChem CID57310561
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name6-ethyl-8,9-dihydro-[1,3]benzodioxolo[7,6-f]isoindol-7-one
SMILESCCc1c2c(cc3c4c(ccc13)OCO4)CNC2=O
InChIInChI=1S/C15H13NO3/c1-2-9-10-3-4-12-14(19-7-18-12)11(10)5-8-6-16-15(17)13(8)9/h3-5H,2,6-7H2,1H3,(H,16,17)
InChIKeyCODXFGQHSUXJDY-UHFFFAOYSA-N
XLogP2.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-dihydro-[1,3]dioxolo[4,5-g]isoindol-8-one
CID 71303966
10-(1,3-benzodioxol-5-yl)-7,8-dihydro-[1,3]benzodioxolo[6,7-f]isoindol-9-one
CID 5273790
[1,3]dioxolo[4,5-i][3]benzazepin-9-one;hydrochloride
CID 172754515
5-(diethylaminomethyl)-7-iodo-2,3-dihydroisoindol-1-one
CID 68809514
10-(2-methylphenyl)-8,9-dihydro-[1,3]benzodioxolo[7,6-f]isoindol-7-one
CID 19353316
2-(4-ethyl-1,3-benzodioxol-5-yl)ethanol
CID 117284510
8-phenyl-[1,3]dioxolo[4,5-f]isochromen-6-one
CID 139694615
7-ethyl-[1,3]dioxolo[4,5-e]isoindole-6,8-dione
CID 609171
2-(4-methoxy-1,3-benzodioxol-5-yl)ethanesulfonyl chloride
CID 84714862
5-(1,3-benzodioxol-4-ylmethyl)-6-ethyl-1,3-benzodioxole
CID 171509585
5-(ethoxymethyl)-7-iodo-2,3-dihydroisoindol-1-one
CID 68808810
7-(1,3-benzodioxol-5-ylmethyl)-6H-[1,3]dioxolo[4,5-g]isoindol-8-one
CID 11849964

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-8,9-dihydro-[1,3]benzodioxolo[7,6-f]isoindol-7-one?
The IUPAC name of 6-ethyl-8,9-dihydro-[1,3]benzodioxolo[7,6-f]isoindol-7-one (CID 57310561) is 6-ethyl-8,9-dihydro-[1,3]benzodioxolo[7,6-f]isoindol-7-one.
What is the SMILES notation for 6-ethyl-8,9-dihydro-[1,3]benzodioxolo[7,6-f]isoindol-7-one?
The canonical SMILES for 6-ethyl-8,9-dihydro-[1,3]benzodioxolo[7,6-f]isoindol-7-one is CCc1c2c(cc3c4c(ccc13)OCO4)CNC2=O.
What is the InChIKey of 6-ethyl-8,9-dihydro-[1,3]benzodioxolo[7,6-f]isoindol-7-one?
The InChIKey is CODXFGQHSUXJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-2-9-10-3-4-12-14(19-7-18-12)11(10)5-8-6-16-15(17)13(8)9/h3-5H,2,6-7H2,1H3,(H,16,17).
What are the key properties of 6-ethyl-8,9-dihydro-[1,3]benzodioxolo[7,6-f]isoindol-7-one?
6-ethyl-8,9-dihydro-[1,3]benzodioxolo[7,6-f]isoindol-7-one has a molecular weight of 255.27 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-8,9-dihydro-[1,3]benzodioxolo[7,6-f]isoindol-7-one is sourced from PubChem (CID 57310561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).