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

C17H15NO2 — CID 2912769

IUPAC2-(1-phenylpropan-2-yl)isoindole-1,3-dione
SMILESCC(Cc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H15NO2/c1-12(11-13-7-3-2-4-8-13)18-16(19)14-9-5-6-10-15(14)17(18)20/h2-10,12H,11H2,1H3
InChIKeyKKSIMQNHJFNGEW-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.91
Rot. Bonds3

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

2-(1-phenylpropan-2-yl)isoindole-1,3-dione (PubChem CID 2912769) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(1-phenylpropan-2-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(1-phenylpropan-2-yl)isoindole-1,3-dione
PubChem CID2912769
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name2-(1-phenylpropan-2-yl)isoindole-1,3-dione
SMILESCC(Cc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H15NO2/c1-12(11-13-7-3-2-4-8-13)18-16(19)14-9-5-6-10-15(14)17(18)20/h2-10,12H,11H2,1H3
InChIKeyKKSIMQNHJFNGEW-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
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-(1-phenylpropan-2-yl)isoindole-1,3-dione?
The IUPAC name of 2-(1-phenylpropan-2-yl)isoindole-1,3-dione (CID 2912769) is 2-(1-phenylpropan-2-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(1-phenylpropan-2-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(1-phenylpropan-2-yl)isoindole-1,3-dione is CC(Cc1ccccc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1-phenylpropan-2-yl)isoindole-1,3-dione?
The InChIKey is KKSIMQNHJFNGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-12(11-13-7-3-2-4-8-13)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-(1-phenylpropan-2-yl)isoindole-1,3-dione?
2-(1-phenylpropan-2-yl)isoindole-1,3-dione has a molecular weight of 265.31 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylpropan-2-yl)isoindole-1,3-dione is sourced from PubChem (CID 2912769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).