5-[methoxy(dimethyl)silyl]-2-methylisoindole-1,3-dione

C12H15NO3Si — CID 21287579

IUPAC5-[methoxy(dimethyl)silyl]-2-methylisoindole-1,3-dione
SMILESCO[Si](C)(C)c1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C12H15NO3Si/c1-13-11(14)9-6-5-8(17(3,4)16-2)7-10(9)12(13)15/h5-7H,1-4H3
InChIKeyNJYVSCRDUALMJN-UHFFFAOYSA-N
MW249.34 g/mol
LogP0.97
Rot. Bonds2

About 5-[methoxy(dimethyl)silyl]-2-methylisoindole-1,3-dione

5-[methoxy(dimethyl)silyl]-2-methylisoindole-1,3-dione (PubChem CID 21287579) has the molecular formula C12H15NO3Si and a molecular weight of 249.34 g/mol. Its IUPAC name is 5-[methoxy(dimethyl)silyl]-2-methylisoindole-1,3-dione.

Molecular Properties

Compound Name5-[methoxy(dimethyl)silyl]-2-methylisoindole-1,3-dione
PubChem CID21287579
Molecular FormulaC12H15NO3Si
Molecular Weight249.34 g/mol
Exact Mass249.08
IUPAC Name5-[methoxy(dimethyl)silyl]-2-methylisoindole-1,3-dione
SMILESCO[Si](C)(C)c1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C12H15NO3Si/c1-13-11(14)9-6-5-8(17(3,4)16-2)7-10(9)12(13)15/h5-7H,1-4H3
InChIKeyNJYVSCRDUALMJN-UHFFFAOYSA-N
XLogP0.97
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[methoxy(dimethyl)silyl]-2-methylisoindole-1,3-dione?
The IUPAC name of 5-[methoxy(dimethyl)silyl]-2-methylisoindole-1,3-dione (CID 21287579) is 5-[methoxy(dimethyl)silyl]-2-methylisoindole-1,3-dione.
What is the SMILES notation for 5-[methoxy(dimethyl)silyl]-2-methylisoindole-1,3-dione?
The canonical SMILES for 5-[methoxy(dimethyl)silyl]-2-methylisoindole-1,3-dione is CO[Si](C)(C)c1ccc2c(c1)C(=O)N(C)C2=O.
What is the InChIKey of 5-[methoxy(dimethyl)silyl]-2-methylisoindole-1,3-dione?
The InChIKey is NJYVSCRDUALMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3Si/c1-13-11(14)9-6-5-8(17(3,4)16-2)7-10(9)12(13)15/h5-7H,1-4H3.
What are the key properties of 5-[methoxy(dimethyl)silyl]-2-methylisoindole-1,3-dione?
5-[methoxy(dimethyl)silyl]-2-methylisoindole-1,3-dione has a molecular weight of 249.34 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methoxy(dimethyl)silyl]-2-methylisoindole-1,3-dione is sourced from PubChem (CID 21287579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).