2-ethenylisoindole-1,3-dione

C10H7NO2 — CID 175832384

IUPAC2-ethenylisoindole-1,3-dione
SMILESC=CN1C(=O)c2ccccc2[13C]1=O
InChIInChI=1S/C10H7NO2/c1-2-11-9(12)7-5-3-4-6-8(7)10(11)13/h2-6H,1H2/i9+1
InChIKeyIGDLZDCWMRPMGL-QBZHADDCSA-N
MW174.16 g/mol
LogP1.43
Rot. Bonds1

About 2-ethenylisoindole-1,3-dione

2-ethenylisoindole-1,3-dione (PubChem CID 175832384) has the molecular formula C10H7NO2 and a molecular weight of 174.16 g/mol. Its IUPAC name is 2-ethenylisoindole-1,3-dione.

Molecular Properties

Compound Name2-ethenylisoindole-1,3-dione
PubChem CID175832384
Molecular FormulaC10H7NO2
Molecular Weight174.16 g/mol
Exact Mass174.05
IUPAC Name2-ethenylisoindole-1,3-dione
SMILESC=CN1C(=O)c2ccccc2[13C]1=O
InChIInChI=1S/C10H7NO2/c1-2-11-9(12)7-5-3-4-6-8(7)10(11)13/h2-6H,1H2/i9+1
InChIKeyIGDLZDCWMRPMGL-QBZHADDCSA-N
XLogP1.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-ethenylisoindole-1,3-dione?
The IUPAC name of 2-ethenylisoindole-1,3-dione (CID 175832384) is 2-ethenylisoindole-1,3-dione.
What is the SMILES notation for 2-ethenylisoindole-1,3-dione?
The canonical SMILES for 2-ethenylisoindole-1,3-dione is C=CN1C(=O)c2ccccc2[13C]1=O.
What is the InChIKey of 2-ethenylisoindole-1,3-dione?
The InChIKey is IGDLZDCWMRPMGL-QBZHADDCSA-N. The full InChI is InChI=1S/C10H7NO2/c1-2-11-9(12)7-5-3-4-6-8(7)10(11)13/h2-6H,1H2/i9+1.
What are the key properties of 2-ethenylisoindole-1,3-dione?
2-ethenylisoindole-1,3-dione has a molecular weight of 174.16 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylisoindole-1,3-dione is sourced from PubChem (CID 175832384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).