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

C11H11NO3 — CID 10035842

IUPAC2-(2-hydroxypropan-2-yl)isoindole-1,3-dione
SMILESCC(C)(O)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C11H11NO3/c1-11(2,15)12-9(13)7-5-3-4-6-8(7)10(12)14/h3-6,15H,1-2H3
InChIKeyXPHYBRHMFITHHM-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.01
Rot. Bonds1

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

2-(2-hydroxypropan-2-yl)isoindole-1,3-dione (PubChem CID 10035842) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-(2-hydroxypropan-2-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-hydroxypropan-2-yl)isoindole-1,3-dione
PubChem CID10035842
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name2-(2-hydroxypropan-2-yl)isoindole-1,3-dione
SMILESCC(C)(O)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C11H11NO3/c1-11(2,15)12-9(13)7-5-3-4-6-8(7)10(12)14/h3-6,15H,1-2H3
InChIKeyXPHYBRHMFITHHM-UHFFFAOYSA-N
XLogP1.01
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-hydroxy-2,3-dimethylbutan-2-yl)isoindole-1,3-dione
CID 59102632
3-(1,3-dioxoisoindol-2-yl)-2,2,3-trimethylbutanoic acid
CID 65266462
(2R)-2-(1,3-dioxoisoindol-2-yl)-2-phenylpropanoic acid
CID 102370956
2-(2-hydroxy-2-methylpropyl)isoindole-1,3-dione
CID 15205735
2-(1-hydroxy-2-phenylpropan-2-yl)isoindole-1,3-dione
CID 105059304
2-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)isoindole-1,3-dione
CID 67383644
2-(1,3-dioxoisoindol-2-yl)-3-hydroxy-2-methylpropanoic acid
CID 57007568
2-(4-methylheptan-4-yl)isoindole-1,3-dione
CID 163719982
2-(4,4,4-trifluoro-2-hydroxy-2-methylbutyl)isoindole-1,3-dione
CID 164683727
2-(1,3-dioxoisoindol-2-yl)-2,3-dihydroxy-3-piperidin-1-ylbutanedioic acid
CID 174752267
2-hydroxyisoindole-1,3-dione
CID 66775726
2-tert-butyl-3-methoxyiminoisoindol-1-one
CID 141422042

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropan-2-yl)isoindole-1,3-dione?
The IUPAC name of 2-(2-hydroxypropan-2-yl)isoindole-1,3-dione (CID 10035842) is 2-(2-hydroxypropan-2-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2-hydroxypropan-2-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(2-hydroxypropan-2-yl)isoindole-1,3-dione is CC(C)(O)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(2-hydroxypropan-2-yl)isoindole-1,3-dione?
The InChIKey is XPHYBRHMFITHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-11(2,15)12-9(13)7-5-3-4-6-8(7)10(12)14/h3-6,15H,1-2H3.
What are the key properties of 2-(2-hydroxypropan-2-yl)isoindole-1,3-dione?
2-(2-hydroxypropan-2-yl)isoindole-1,3-dione has a molecular weight of 205.21 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropan-2-yl)isoindole-1,3-dione is sourced from PubChem (CID 10035842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).