3-hydroxy-2-(2-trimethylsilylethyl)-3H-isoindol-1-one

C13H19NO2Si — CID 10658286

IUPAC3-hydroxy-2-(2-trimethylsilylethyl)-3H-isoindol-1-one
SMILESC[Si](C)(C)CCN1C(=O)c2ccccc2C1O
InChIInChI=1S/C13H19NO2Si/c1-17(2,3)9-8-14-12(15)10-6-4-5-7-11(10)13(14)16/h4-7,12,15H,8-9H2,1-3H3
InChIKeyVMPHICWFPVTARV-UHFFFAOYSA-N
MW249.39 g/mol
LogP2.47
Rot. Bonds3

About 3-hydroxy-2-(2-trimethylsilylethyl)-3H-isoindol-1-one

3-hydroxy-2-(2-trimethylsilylethyl)-3H-isoindol-1-one (PubChem CID 10658286) has the molecular formula C13H19NO2Si and a molecular weight of 249.39 g/mol. Its IUPAC name is 3-hydroxy-2-(2-trimethylsilylethyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name3-hydroxy-2-(2-trimethylsilylethyl)-3H-isoindol-1-one
PubChem CID10658286
Molecular FormulaC13H19NO2Si
Molecular Weight249.39 g/mol
Exact Mass249.12
IUPAC Name3-hydroxy-2-(2-trimethylsilylethyl)-3H-isoindol-1-one
SMILESC[Si](C)(C)CCN1C(=O)c2ccccc2C1O
InChIInChI=1S/C13H19NO2Si/c1-17(2,3)9-8-14-12(15)10-6-4-5-7-11(10)13(14)16/h4-7,12,15H,8-9H2,1-3H3
InChIKeyVMPHICWFPVTARV-UHFFFAOYSA-N
XLogP2.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-2-(2-hydroxy-2-methylpropyl)-3H-isoindol-1-one
CID 143664494
2-[(E)-but-2-enyl]-3-hydroxy-3H-isoindol-1-one
CID 121010627
(3R)-3-hydroxy-2-(2-pyrrolidin-1-ium-1-ylethyl)-3H-isoindol-1-one
CID 7315757
2-[(4-ethylphenyl)methyl]-3-hydroxy-3H-isoindol-1-one
CID 143155464
3-hydroxy-2-(thiophen-2-ylmethyl)-3H-isoindol-1-one
CID 4616003
(E)-6-(1-hydroxy-3-oxo-1H-isoindol-2-yl)hex-2-enal
CID 171622818
2-[3-(2-chlorophenyl)propyl]-3-hydroxy-3H-isoindol-1-one
CID 129298800
3-hydroxy-2-[(4-methoxyphenyl)sulfanylmethyl]-3H-isoindol-1-one
CID 11174118
2-[(5-bromothiophen-2-yl)methyl]-3-hydroxy-3H-isoindol-1-one
CID 10592036
2-[4-(4-benzylpiperazin-1-yl)butyl]-3-hydroxy-3H-isoindol-1-one
CID 123137184
3-hydroxy-2-[3-(2-methylphenyl)prop-2-enyl]-3H-isoindol-1-one
CID 123439146
3-hydroxy-2-methoxy-3H-isoindol-1-one
CID 123451944

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(2-trimethylsilylethyl)-3H-isoindol-1-one?
The IUPAC name of 3-hydroxy-2-(2-trimethylsilylethyl)-3H-isoindol-1-one (CID 10658286) is 3-hydroxy-2-(2-trimethylsilylethyl)-3H-isoindol-1-one.
What is the SMILES notation for 3-hydroxy-2-(2-trimethylsilylethyl)-3H-isoindol-1-one?
The canonical SMILES for 3-hydroxy-2-(2-trimethylsilylethyl)-3H-isoindol-1-one is C[Si](C)(C)CCN1C(=O)c2ccccc2C1O.
What is the InChIKey of 3-hydroxy-2-(2-trimethylsilylethyl)-3H-isoindol-1-one?
The InChIKey is VMPHICWFPVTARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2Si/c1-17(2,3)9-8-14-12(15)10-6-4-5-7-11(10)13(14)16/h4-7,12,15H,8-9H2,1-3H3.
What are the key properties of 3-hydroxy-2-(2-trimethylsilylethyl)-3H-isoindol-1-one?
3-hydroxy-2-(2-trimethylsilylethyl)-3H-isoindol-1-one has a molecular weight of 249.39 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(2-trimethylsilylethyl)-3H-isoindol-1-one is sourced from PubChem (CID 10658286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).