1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrole-2,5-dione

C12H9NO4 — CID 709356

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccc2c(c1)OCCO2
InChIInChI=1S/C12H9NO4/c14-11-3-4-12(15)13(11)8-1-2-9-10(7-8)17-6-5-16-9/h1-4,7H,5-6H2
InChIKeyLRCFBRUAUCWMAU-UHFFFAOYSA-N
MW231.21 g/mol
LogP0.89
Rot. Bonds1

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrole-2,5-dione

1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrole-2,5-dione (PubChem CID 709356) has the molecular formula C12H9NO4 and a molecular weight of 231.21 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrole-2,5-dione
PubChem CID709356
Molecular FormulaC12H9NO4
Molecular Weight231.21 g/mol
Exact Mass231.05
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccc2c(c1)OCCO2
InChIInChI=1S/C12H9NO4/c14-11-3-4-12(15)13(11)8-1-2-9-10(7-8)17-6-5-16-9/h1-4,7H,5-6H2
InChIKeyLRCFBRUAUCWMAU-UHFFFAOYSA-N
XLogP0.89
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 308434
N-(2,3-Dihydro-1,4-benzodioxin-6-yl)acetamide
CID 565773
N-(4-Ethoxyphenyl)maleimide
CID 29407
(2,3-Dihydro-1,4-benzodioxin-6-yl)urea
CID 3837306
3-(3,4-Diethoxyphenyl)-5-methyl-1,3-oxazolidine-2,4-dione
CID 139594652
N-(3,4-Dimethoxyphenyl)acetamide
CID 244160
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyphenoxy)acetamide
CID 868039
2-methyl-N-(2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl)-2-propenamide
CID 940003
(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(furan-2-yl)prop-2-enamide
CID 2162339
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-fluorophenoxy)acetamide
CID 2984348
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluorophenoxy)acetamide
CID 2986739
N-Cyclopropyl-N'-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-oxalamide
CID 7584944

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrole-2,5-dione?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrole-2,5-dione (CID 709356) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrole-2,5-dione is O=C1C=CC(=O)N1c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrole-2,5-dione?
The InChIKey is LRCFBRUAUCWMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO4/c14-11-3-4-12(15)13(11)8-1-2-9-10(7-8)17-6-5-16-9/h1-4,7H,5-6H2.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrole-2,5-dione?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrole-2,5-dione has a molecular weight of 231.21 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrole-2,5-dione is sourced from PubChem (CID 709356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).