2-(2-phenylpropyl)isoindole-1,3-dione

C17H15NO2 — CID 10869184

IUPAC2-(2-phenylpropyl)isoindole-1,3-dione
SMILESCC(CN1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C17H15NO2/c1-12(13-7-3-2-4-8-13)11-18-16(19)14-9-5-6-10-15(14)17(18)20/h2-10,12H,11H2,1H3
InChIKeyLNKAQFVYGABMKO-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.09
Rot. Bonds3

About 2-(2-phenylpropyl)isoindole-1,3-dione

2-(2-phenylpropyl)isoindole-1,3-dione (PubChem CID 10869184) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(2-phenylpropyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-phenylpropyl)isoindole-1,3-dione
PubChem CID10869184
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name2-(2-phenylpropyl)isoindole-1,3-dione
SMILESCC(CN1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C17H15NO2/c1-12(13-7-3-2-4-8-13)11-18-16(19)14-9-5-6-10-15(14)17(18)20/h2-10,12H,11H2,1H3
InChIKeyLNKAQFVYGABMKO-UHFFFAOYSA-N
XLogP3.09
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.09
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

6,13-bis(2,2-diphenylethyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 102103716
2-(2,3,3-trimethylbutyl)isoindole-1,3-dione
CID 176792858
2-[(2R)-3-iodo-2-methylpropyl]isoindole-1,3-dione
CID 10592421
2-[(1,3-dioxoisoindol-2-yl)methyl]-3-methylbutanoic acid
CID 65222152
2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylpropyl)acetamide
CID 4828663
2-[(1S)-1-phenylpropyl]isoindole-1,3-dione
CID 174517685
3-[(1,3-dioxoisoindol-2-yl)methyl]-4-methylpentanoic acid
CID 71583338
2-[(1S)-1-phenylethyl]isoindole-1,3-dione
CID 792943
2-[4-[methyl(1-phenylethyl)amino]butyl]isoindole-1,3-dione
CID 18088905
(2S)-3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropanoic acid
CID 67719573
2-(3-bromo-2-methoxypropyl)isoindole-1,3-dione
CID 121378395
2-[2-(bromomethyl)-3,3-dimethylbutyl]isoindole-1,3-dione
CID 65014935

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylpropyl)isoindole-1,3-dione?
The IUPAC name of 2-(2-phenylpropyl)isoindole-1,3-dione (CID 10869184) is 2-(2-phenylpropyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2-phenylpropyl)isoindole-1,3-dione?
The canonical SMILES for 2-(2-phenylpropyl)isoindole-1,3-dione is CC(CN1C(=O)c2ccccc2C1=O)c1ccccc1.
What is the InChIKey of 2-(2-phenylpropyl)isoindole-1,3-dione?
The InChIKey is LNKAQFVYGABMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-12(13-7-3-2-4-8-13)11-18-16(19)14-9-5-6-10-15(14)17(18)20/h2-10,12H,11H2,1H3.
What are the key properties of 2-(2-phenylpropyl)isoindole-1,3-dione?
2-(2-phenylpropyl)isoindole-1,3-dione has a molecular weight of 265.31 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylpropyl)isoindole-1,3-dione is sourced from PubChem (CID 10869184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).