2-(trimethylstannylmethyl)isoindole-1,3-dione

C12H15NO2Sn — CID 10426383

IUPAC2-(trimethylstannylmethyl)isoindole-1,3-dione
SMILESC[Sn](C)(C)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C9H6NO2.3CH3.Sn/c1-10-8(11)6-4-2-3-5-7(6)9(10)12;;;;/h2-5H,1H2;3*1H3;
InChIKeyOXYZEICMLFXVFT-UHFFFAOYSA-N
MW323.97 g/mol
LogP2.16
Rot. Bonds2

About 2-(trimethylstannylmethyl)isoindole-1,3-dione

2-(trimethylstannylmethyl)isoindole-1,3-dione (PubChem CID 10426383) has the molecular formula C12H15NO2Sn and a molecular weight of 323.97 g/mol. Its IUPAC name is 2-(trimethylstannylmethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(trimethylstannylmethyl)isoindole-1,3-dione
PubChem CID10426383
Molecular FormulaC12H15NO2Sn
Molecular Weight323.97 g/mol
Exact Mass325.01
IUPAC Name2-(trimethylstannylmethyl)isoindole-1,3-dione
SMILESC[Sn](C)(C)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C9H6NO2.3CH3.Sn/c1-10-8(11)6-4-2-3-5-7(6)9(10)12;;;;/h2-5H,1H2;3*1H3;
InChIKeyOXYZEICMLFXVFT-UHFFFAOYSA-N
XLogP2.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.97
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
hydron;2-propylisoindole-1,3-dione
CID 174827386
(1,3-dioxoisoindol-2-yl)methyl-triethylazanium;hydrobromide
CID 126959212
3-(1,3-dioxoisoindol-2-yl)propyl-trimethylazanium
CID 19927294
2-(1,3-dioxoisoindol-2-yl)acetyl chloride
CID 11031536
4-(1,3-dioxoisoindol-2-yl)butanal;ethane
CID 145335589
3-(1,3-dioxoisoindol-2-yl)propyl-[4-[3-(1,3-dioxoisoindol-2-yl)propyl-dimethylazaniumyl]butyl]-dimethylazanium
CID 10770828
2-(2-hydroxy-2-methylpropyl)isoindole-1,3-dione
CID 15205735
2-(ethylsulfanylmethyl)isoindole-1,3-dione
CID 13458998
ethane;2,2,2-trifluoroethanamine;2-(2,2,2-trifluoroethyl)isoindole-1,3-dione
CID 164901575
2-[[benzyl(dimethyl)silyl]methyl]isoindole-1,3-dione
CID 15225532
2-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)isoindole-1,3-dione
CID 67383644

Frequently Asked Questions

What is the IUPAC name of 2-(trimethylstannylmethyl)isoindole-1,3-dione?
The IUPAC name of 2-(trimethylstannylmethyl)isoindole-1,3-dione (CID 10426383) is 2-(trimethylstannylmethyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(trimethylstannylmethyl)isoindole-1,3-dione?
The canonical SMILES for 2-(trimethylstannylmethyl)isoindole-1,3-dione is C[Sn](C)(C)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(trimethylstannylmethyl)isoindole-1,3-dione?
The InChIKey is OXYZEICMLFXVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6NO2.3CH3.Sn/c1-10-8(11)6-4-2-3-5-7(6)9(10)12;;;;/h2-5H,1H2;3*1H3;.
What are the key properties of 2-(trimethylstannylmethyl)isoindole-1,3-dione?
2-(trimethylstannylmethyl)isoindole-1,3-dione has a molecular weight of 323.97 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trimethylstannylmethyl)isoindole-1,3-dione is sourced from PubChem (CID 10426383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).