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

C17H13NO3 — CID 519663

IUPAC2-(1-oxo-1-phenylpropan-2-yl)isoindole-1,3-dione
SMILESCC(C(=O)c1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H13NO3/c1-11(15(19)12-7-3-2-4-8-12)18-16(20)13-9-5-6-10-14(13)17(18)21/h2-11H,1H3
InChIKeyCKLKGWHINGNHOK-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.55
Rot. Bonds3

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

2-(1-oxo-1-phenylpropan-2-yl)isoindole-1,3-dione (PubChem CID 519663) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-(1-oxo-1-phenylpropan-2-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(1-oxo-1-phenylpropan-2-yl)isoindole-1,3-dione
PubChem CID519663
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name2-(1-oxo-1-phenylpropan-2-yl)isoindole-1,3-dione
SMILESCC(C(=O)c1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H13NO3/c1-11(15(19)12-7-3-2-4-8-12)18-16(20)13-9-5-6-10-14(13)17(18)21/h2-11H,1H3
InChIKeyCKLKGWHINGNHOK-UHFFFAOYSA-N
XLogP2.55
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Thalidomide
CID 5426
N-Methylphthalimide
CID 11074
(S)-Thalidomide
CID 92142
3-(1,3-Dihydro-1-oxo-2H-isoindol-2-yl)-2,6-piperidinedione
CID 91585
2-((1-(2-(4-Fluorophenyl)-2-oxoethyl)-4-piperidinyl)methyl)-2,3-dihydro-1H-isoindol-1-one
CID 9799284
Isopropylphthalimide
CID 67535
N-(hydroxymethyl)phthalimide
CID 8354
N-Butylphthalimide
CID 73812
Chloromethylphthalimide
CID 87154
N-Ethylphthalimide
CID 21120
N-Phthaloylglycine
CID 20825
(R)-Thalidomide
CID 75792

Frequently Asked Questions

What is the IUPAC name of 2-(1-oxo-1-phenylpropan-2-yl)isoindole-1,3-dione?
The IUPAC name of 2-(1-oxo-1-phenylpropan-2-yl)isoindole-1,3-dione (CID 519663) is 2-(1-oxo-1-phenylpropan-2-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(1-oxo-1-phenylpropan-2-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(1-oxo-1-phenylpropan-2-yl)isoindole-1,3-dione is CC(C(=O)c1ccccc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1-oxo-1-phenylpropan-2-yl)isoindole-1,3-dione?
The InChIKey is CKLKGWHINGNHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-11(15(19)12-7-3-2-4-8-12)18-16(20)13-9-5-6-10-14(13)17(18)21/h2-11H,1H3.
What are the key properties of 2-(1-oxo-1-phenylpropan-2-yl)isoindole-1,3-dione?
2-(1-oxo-1-phenylpropan-2-yl)isoindole-1,3-dione has a molecular weight of 279.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxo-1-phenylpropan-2-yl)isoindole-1,3-dione is sourced from PubChem (CID 519663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).