2-[(2R)-1-phenylpropan-2-yl]isoindole-1,3-dione

C17H15NO2 — CID 1121128

IUPAC2-[(2R)-1-phenylpropan-2-yl]isoindole-1,3-dione
SMILESC[C@H](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/t12-/m1/s1
InChIKeyKKSIMQNHJFNGEW-GFCCVEGCSA-N
MW265.31 g/mol
LogP2.91
Rot. Bonds3

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

2-[(2R)-1-phenylpropan-2-yl]isoindole-1,3-dione (PubChem CID 1121128) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[(2R)-1-phenylpropan-2-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2R)-1-phenylpropan-2-yl]isoindole-1,3-dione
PubChem CID1121128
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name2-[(2R)-1-phenylpropan-2-yl]isoindole-1,3-dione
SMILESC[C@H](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/t12-/m1/s1
InChIKeyKKSIMQNHJFNGEW-GFCCVEGCSA-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'}

Analyze 2-[(2R)-1-phenylpropan-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

2-[1-(4-phenylphenyl)propan-2-yl]isoindole-1,3-dione
CID 14368628
2-[(2R,4R)-4-(1,3-dioxoisoindol-2-yl)pentan-2-yl]isoindole-1,3-dione
CID 100990759
3,4-bis(ethenyl)-1-(1-phenylpropan-2-yl)pyrrole-2,5-dione;ethane
CID 142067637
2-[(2R)-pentan-2-yl]isoindole-1,3-dione
CID 10512957
(2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanal
CID 11572698
1-(3,4-dimethoxyphenyl)propan-2-amine;2-[1-(3,4-dimethoxyphenyl)propan-2-yl]isoindole-1,3-dione
CID 159156750
2-[1-(5-oxo-1,4,2-dioxazol-3-yl)propan-2-yl]isoindole-1,3-dione
CID 175293844
(2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 6919275
(2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl chloride
CID 42325650
ethyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 830179
5-(1,3-dioxoisoindol-2-yl)hexanoic acid
CID 15847422
2-[1-(2-phenylethylamino)ethyl]isoindole-1,3-dione
CID 142737022

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-phenylpropan-2-yl]isoindole-1,3-dione?
The IUPAC name of 2-[(2R)-1-phenylpropan-2-yl]isoindole-1,3-dione (CID 1121128) is 2-[(2R)-1-phenylpropan-2-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2R)-1-phenylpropan-2-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[(2R)-1-phenylpropan-2-yl]isoindole-1,3-dione is C[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(2R)-1-phenylpropan-2-yl]isoindole-1,3-dione?
The InChIKey is KKSIMQNHJFNGEW-GFCCVEGCSA-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/t12-/m1/s1.
What are the key properties of 2-[(2R)-1-phenylpropan-2-yl]isoindole-1,3-dione?
2-[(2R)-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-[(2R)-1-phenylpropan-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 1121128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).