2-(1-phenylprop-1-en-2-yl)isoindole-1,3-dione

C17H13NO2 — CID 54502671

IUPAC2-(1-phenylprop-1-en-2-yl)isoindole-1,3-dione
SMILESCC(=Cc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H13NO2/c1-12(11-13-7-3-2-4-8-13)18-16(19)14-9-5-6-10-15(14)17(18)20/h2-11H,1H3
InChIKeyYDNSVKPZJXKINF-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.34
Rot. Bonds2

About 2-(1-phenylprop-1-en-2-yl)isoindole-1,3-dione

2-(1-phenylprop-1-en-2-yl)isoindole-1,3-dione (PubChem CID 54502671) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-(1-phenylprop-1-en-2-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(1-phenylprop-1-en-2-yl)isoindole-1,3-dione
PubChem CID54502671
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name2-(1-phenylprop-1-en-2-yl)isoindole-1,3-dione
SMILESCC(=Cc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H13NO2/c1-12(11-13-7-3-2-4-8-13)18-16(19)14-9-5-6-10-15(14)17(18)20/h2-11H,1H3
InChIKeyYDNSVKPZJXKINF-UHFFFAOYSA-N
XLogP3.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1-phenylprop-1-en-2-yl)isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-dioxoisoindol-2-yl)-2-methyl-3-phenylprop-2-enamide
CID 3820988
(E)-3-(1,3-dioxoisoindol-2-yl)-2-hydroxy-4-phenylbut-3-enenitrile
CID 163602896
2-[(E)-hex-3-en-3-yl]isoindole-1,3-dione
CID 100993985
(2S)-3-(4-methylphenyl)-2-[(E)-1-phenylprop-1-en-2-yl]-1,2-dihydroquinazolin-4-one
CID 2094031
3-(4-methylphenyl)-2-[(E)-1-phenylprop-1-en-2-yl]-1,2-dihydroquinazolin-4-one
CID 6106311
(E)-N,N,2-trimethyl-3-phenylprop-2-enamide
CID 6372631
(Z)-2-methyl-N-oxo-3-phenylprop-2-enamide
CID 134576531
2-[1,1-bis(trimethylsilyloxy)prop-1-en-2-yl]isoindole-1,3-dione
CID 102042582
2-hydroxyisoindole-1,3-dione
CID 66775726
4,5-diphenylpenta-2,4-dienal
CID 54539333
3-benzylidene-2-(2-methylphenyl)isoindol-1-one
CID 3294235
[(E)-2-[[(E)-1-phenylprop-1-en-2-yl]ditellanyl]prop-1-enyl]benzene
CID 134881508

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylprop-1-en-2-yl)isoindole-1,3-dione?
The IUPAC name of 2-(1-phenylprop-1-en-2-yl)isoindole-1,3-dione (CID 54502671) is 2-(1-phenylprop-1-en-2-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(1-phenylprop-1-en-2-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(1-phenylprop-1-en-2-yl)isoindole-1,3-dione is CC(=Cc1ccccc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1-phenylprop-1-en-2-yl)isoindole-1,3-dione?
The InChIKey is YDNSVKPZJXKINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2/c1-12(11-13-7-3-2-4-8-13)18-16(19)14-9-5-6-10-15(14)17(18)20/h2-11H,1H3.
What are the key properties of 2-(1-phenylprop-1-en-2-yl)isoindole-1,3-dione?
2-(1-phenylprop-1-en-2-yl)isoindole-1,3-dione has a molecular weight of 263.30 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylprop-1-en-2-yl)isoindole-1,3-dione is sourced from PubChem (CID 54502671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).