2-(2-hydroxy-2-methylpropyl)isoindole-1,3-dione

C12H13NO3 — CID 15205735

IUPAC2-(2-hydroxy-2-methylpropyl)isoindole-1,3-dione
SMILESCC(C)(O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C12H13NO3/c1-12(2,16)7-13-10(14)8-5-3-4-6-9(8)11(13)15/h3-6,16H,7H2,1-2H3
InChIKeyJMASLAZJPTVVNT-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.05
Rot. Bonds2

About 2-(2-hydroxy-2-methylpropyl)isoindole-1,3-dione

2-(2-hydroxy-2-methylpropyl)isoindole-1,3-dione (PubChem CID 15205735) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-(2-hydroxy-2-methylpropyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-hydroxy-2-methylpropyl)isoindole-1,3-dione
PubChem CID15205735
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name2-(2-hydroxy-2-methylpropyl)isoindole-1,3-dione
SMILESCC(C)(O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C12H13NO3/c1-12(2,16)7-13-10(14)8-5-3-4-6-9(8)11(13)15/h3-6,16H,7H2,1-2H3
InChIKeyJMASLAZJPTVVNT-UHFFFAOYSA-N
XLogP1.05
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.05
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-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)isoindole-1,3-dione
CID 67383644
2-(4,4,4-trifluoro-2-hydroxy-2-methylbutyl)isoindole-1,3-dione
CID 164683727
(2R)-4-(1,3-dioxoisoindol-2-yl)-2-hydroxy-3,3-dimethylbutanoic acid
CID 834726
2-(7-hydroxy-3,7-dimethyloctyl)isoindole-1,3-dione
CID 132513364
4-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanal
CID 89350088
2-(2-hydroxypropan-2-yl)isoindole-1,3-dione
CID 10035842
2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]isoindole-1,3-dione
CID 79390707
ethyl (2R)-4-(1,3-dioxoisoindol-2-yl)-2-hydroxy-3,3-dimethylbutanoate
CID 830896
2-(3-hydroxy-2,3-dimethylbutan-2-yl)isoindole-1,3-dione
CID 59102632
3-hydroxy-2-(2-hydroxy-2-methylpropyl)-3H-isoindol-1-one
CID 143664494
ethane;2,2,2-trifluoroethanamine;2-(2,2,2-trifluoroethyl)isoindole-1,3-dione
CID 164901575
2-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxy-2-methylpropyl)ethanesulfonamide
CID 110287773

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-2-methylpropyl)isoindole-1,3-dione?
The IUPAC name of 2-(2-hydroxy-2-methylpropyl)isoindole-1,3-dione (CID 15205735) is 2-(2-hydroxy-2-methylpropyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2-hydroxy-2-methylpropyl)isoindole-1,3-dione?
The canonical SMILES for 2-(2-hydroxy-2-methylpropyl)isoindole-1,3-dione is CC(C)(O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(2-hydroxy-2-methylpropyl)isoindole-1,3-dione?
The InChIKey is JMASLAZJPTVVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-12(2,16)7-13-10(14)8-5-3-4-6-9(8)11(13)15/h3-6,16H,7H2,1-2H3.
What are the key properties of 2-(2-hydroxy-2-methylpropyl)isoindole-1,3-dione?
2-(2-hydroxy-2-methylpropyl)isoindole-1,3-dione has a molecular weight of 219.24 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-2-methylpropyl)isoindole-1,3-dione is sourced from PubChem (CID 15205735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).