4,7-bis(trimethylsilyl)-2,3-dihydroisoindol-1-one

C14H23NOSi2 — CID 101131671

IUPAC4,7-bis(trimethylsilyl)-2,3-dihydroisoindol-1-one
SMILESC[Si](C)(C)c1ccc([Si](C)(C)C)c2c1CNC2=O
InChIInChI=1S/C14H23NOSi2/c1-17(2,3)11-7-8-12(18(4,5)6)13-10(11)9-15-14(13)16/h7-8H,9H2,1-6H3,(H,15,16)
InChIKeyFCFOSKBQAWQAKQ-UHFFFAOYSA-N
MW277.52 g/mol
LogP2.02
Rot. Bonds2

About 4,7-bis(trimethylsilyl)-2,3-dihydroisoindol-1-one

4,7-bis(trimethylsilyl)-2,3-dihydroisoindol-1-one (PubChem CID 101131671) has the molecular formula C14H23NOSi2 and a molecular weight of 277.52 g/mol. Its IUPAC name is 4,7-bis(trimethylsilyl)-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name4,7-bis(trimethylsilyl)-2,3-dihydroisoindol-1-one
PubChem CID101131671
Molecular FormulaC14H23NOSi2
Molecular Weight277.52 g/mol
Exact Mass277.13
IUPAC Name4,7-bis(trimethylsilyl)-2,3-dihydroisoindol-1-one
SMILESC[Si](C)(C)c1ccc([Si](C)(C)C)c2c1CNC2=O
InChIInChI=1S/C14H23NOSi2/c1-17(2,3)11-7-8-12(18(4,5)6)13-10(11)9-15-14(13)16/h7-8H,9H2,1-6H3,(H,15,16)
InChIKeyFCFOSKBQAWQAKQ-UHFFFAOYSA-N
XLogP2.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.52
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,7-bis(trimethylsilyl)-2,3-dihydroisoindol-1-one?
The IUPAC name of 4,7-bis(trimethylsilyl)-2,3-dihydroisoindol-1-one (CID 101131671) is 4,7-bis(trimethylsilyl)-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 4,7-bis(trimethylsilyl)-2,3-dihydroisoindol-1-one?
The canonical SMILES for 4,7-bis(trimethylsilyl)-2,3-dihydroisoindol-1-one is C[Si](C)(C)c1ccc([Si](C)(C)C)c2c1CNC2=O.
What is the InChIKey of 4,7-bis(trimethylsilyl)-2,3-dihydroisoindol-1-one?
The InChIKey is FCFOSKBQAWQAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOSi2/c1-17(2,3)11-7-8-12(18(4,5)6)13-10(11)9-15-14(13)16/h7-8H,9H2,1-6H3,(H,15,16).
What are the key properties of 4,7-bis(trimethylsilyl)-2,3-dihydroisoindol-1-one?
4,7-bis(trimethylsilyl)-2,3-dihydroisoindol-1-one has a molecular weight of 277.52 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-bis(trimethylsilyl)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 101131671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).