2-[(E)-3-phenylprop-2-enyl]isoindole-1,3-dione

C17H13NO2 — CID 5389074

IUPAC2-[(E)-3-phenylprop-2-enyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C/C=C/c1ccccc1
InChIInChI=1S/C17H13NO2/c19-16-14-10-4-5-11-15(14)17(20)18(16)12-6-9-13-7-2-1-3-8-13/h1-11H,12H2/b9-6+
InChIKeyAUDPOCGNHFKZBR-RMKNXTFCSA-N
MW263.30 g/mol
LogP3.00
Rot. Bonds3

About 2-[(E)-3-phenylprop-2-enyl]isoindole-1,3-dione

2-[(E)-3-phenylprop-2-enyl]isoindole-1,3-dione (PubChem CID 5389074) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[(E)-3-phenylprop-2-enyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(E)-3-phenylprop-2-enyl]isoindole-1,3-dione
PubChem CID5389074
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name2-[(E)-3-phenylprop-2-enyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C/C=C/c1ccccc1
InChIInChI=1S/C17H13NO2/c19-16-14-10-4-5-11-15(14)17(20)18(16)12-6-9-13-7-2-1-3-8-13/h1-11H,12H2/b9-6+
InChIKeyAUDPOCGNHFKZBR-RMKNXTFCSA-N
XLogP3.00
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Phosmet
CID 12901
Folpet
CID 8607
2-(Cyclohexylthio)-1H-isoindole-1,3(2H)-dione
CID 28777
Phthalimide
CID 6809
N-Methylphthalimide
CID 11074
N-Hydroxyphthalimide
CID 10665
N-Phenylphthalimide
CID 68215
Phthalimidine
CID 10199
2-((1-(2-(4-Fluorophenyl)-2-oxoethyl)-4-piperidinyl)methyl)-2,3-dihydro-1H-isoindol-1-one
CID 9799284
Phosmet oxon
CID 77323
2-Methyl-N,N-diethylbenzamide
CID 75945
N-(2,3-Epoxypropyl)phthalimide
CID 21601

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-phenylprop-2-enyl]isoindole-1,3-dione?
The IUPAC name of 2-[(E)-3-phenylprop-2-enyl]isoindole-1,3-dione (CID 5389074) is 2-[(E)-3-phenylprop-2-enyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(E)-3-phenylprop-2-enyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(E)-3-phenylprop-2-enyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1C/C=C/c1ccccc1.
What is the InChIKey of 2-[(E)-3-phenylprop-2-enyl]isoindole-1,3-dione?
The InChIKey is AUDPOCGNHFKZBR-RMKNXTFCSA-N. The full InChI is InChI=1S/C17H13NO2/c19-16-14-10-4-5-11-15(14)17(20)18(16)12-6-9-13-7-2-1-3-8-13/h1-11H,12H2/b9-6+.
What are the key properties of 2-[(E)-3-phenylprop-2-enyl]isoindole-1,3-dione?
2-[(E)-3-phenylprop-2-enyl]isoindole-1,3-dione has a molecular weight of 263.30 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-phenylprop-2-enyl]isoindole-1,3-dione is sourced from PubChem (CID 5389074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).