7-ethyl-[1,3]dioxolo[4,5-e]isoindole-6,8-dione

C11H9NO4 — CID 609171

IUPAC7-ethyl-[1,3]dioxolo[4,5-e]isoindole-6,8-dione
SMILESCCN1C(=O)c2ccc3c(c2C1=O)OCO3
InChIInChI=1S/C11H9NO4/c1-2-12-10(13)6-3-4-7-9(16-5-15-7)8(6)11(12)14/h3-4H,2,5H2,1H3
InChIKeyWWSFCGJEAWVJMY-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.03
Rot. Bonds1

About 7-ethyl-[1,3]dioxolo[4,5-e]isoindole-6,8-dione

7-ethyl-[1,3]dioxolo[4,5-e]isoindole-6,8-dione (PubChem CID 609171) has the molecular formula C11H9NO4 and a molecular weight of 219.20 g/mol. Its IUPAC name is 7-ethyl-[1,3]dioxolo[4,5-e]isoindole-6,8-dione.

Molecular Properties

Compound Name7-ethyl-[1,3]dioxolo[4,5-e]isoindole-6,8-dione
PubChem CID609171
Molecular FormulaC11H9NO4
Molecular Weight219.20 g/mol
Exact Mass219.05
IUPAC Name7-ethyl-[1,3]dioxolo[4,5-e]isoindole-6,8-dione
SMILESCCN1C(=O)c2ccc3c(c2C1=O)OCO3
InChIInChI=1S/C11H9NO4/c1-2-12-10(13)6-3-4-7-9(16-5-15-7)8(6)11(12)14/h3-4H,2,5H2,1H3
InChIKeyWWSFCGJEAWVJMY-UHFFFAOYSA-N
XLogP1.03
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-[1,3]dioxolo[4,5-e]isoindole-6,8-dione?
The IUPAC name of 7-ethyl-[1,3]dioxolo[4,5-e]isoindole-6,8-dione (CID 609171) is 7-ethyl-[1,3]dioxolo[4,5-e]isoindole-6,8-dione.
What is the SMILES notation for 7-ethyl-[1,3]dioxolo[4,5-e]isoindole-6,8-dione?
The canonical SMILES for 7-ethyl-[1,3]dioxolo[4,5-e]isoindole-6,8-dione is CCN1C(=O)c2ccc3c(c2C1=O)OCO3.
What is the InChIKey of 7-ethyl-[1,3]dioxolo[4,5-e]isoindole-6,8-dione?
The InChIKey is WWSFCGJEAWVJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4/c1-2-12-10(13)6-3-4-7-9(16-5-15-7)8(6)11(12)14/h3-4H,2,5H2,1H3.
What are the key properties of 7-ethyl-[1,3]dioxolo[4,5-e]isoindole-6,8-dione?
7-ethyl-[1,3]dioxolo[4,5-e]isoindole-6,8-dione has a molecular weight of 219.20 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-[1,3]dioxolo[4,5-e]isoindole-6,8-dione is sourced from PubChem (CID 609171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).