2-(2-oxooxolan-3-yl)isoindole-1,3-dione

C12H9NO4 — CID 2783926

IUPAC2-(2-oxooxolan-3-yl)isoindole-1,3-dione
SMILESO=C1OCCC1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C12H9NO4/c14-10-7-3-1-2-4-8(7)11(15)13(10)9-5-6-17-12(9)16/h1-4,9H,5-6H2
InChIKeyHPJABVAESJDAES-UHFFFAOYSA-N
MW231.21 g/mol
LogP0.60
Rot. Bonds1

About 2-(2-oxooxolan-3-yl)isoindole-1,3-dione

2-(2-oxooxolan-3-yl)isoindole-1,3-dione (PubChem CID 2783926) has the molecular formula C12H9NO4 and a molecular weight of 231.21 g/mol. Its IUPAC name is 2-(2-oxooxolan-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-oxooxolan-3-yl)isoindole-1,3-dione
PubChem CID2783926
Molecular FormulaC12H9NO4
Molecular Weight231.21 g/mol
Exact Mass231.05
IUPAC Name2-(2-oxooxolan-3-yl)isoindole-1,3-dione
SMILESO=C1OCCC1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C12H9NO4/c14-10-7-3-1-2-4-8(7)11(15)13(10)9-5-6-17-12(9)16/h1-4,9H,5-6H2
InChIKeyHPJABVAESJDAES-UHFFFAOYSA-N
XLogP0.60
TPSA63.68 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 ≤ 50.60
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 2-(2-oxooxolan-3-yl)isoindole-1,3-dione?
The IUPAC name of 2-(2-oxooxolan-3-yl)isoindole-1,3-dione (CID 2783926) is 2-(2-oxooxolan-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2-oxooxolan-3-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(2-oxooxolan-3-yl)isoindole-1,3-dione is O=C1OCCC1N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(2-oxooxolan-3-yl)isoindole-1,3-dione?
The InChIKey is HPJABVAESJDAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO4/c14-10-7-3-1-2-4-8(7)11(15)13(10)9-5-6-17-12(9)16/h1-4,9H,5-6H2.
What are the key properties of 2-(2-oxooxolan-3-yl)isoindole-1,3-dione?
2-(2-oxooxolan-3-yl)isoindole-1,3-dione has a molecular weight of 231.21 g/mol, XLogP of 0.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxooxolan-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 2783926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).