triethylstannyl 2-(1,3-dioxoisoindol-2-yl)acetate

C16H21NO4Sn — CID 16684771

IUPACtriethylstannyl 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESCC[Sn](CC)(CC)OC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C10H7NO4.3C2H5.Sn/c12-8(13)5-11-9(14)6-3-1-2-4-7(6)10(11)15;3*1-2;/h1-4H,5H2,(H,12,13);3*1H2,2H3;/q;;;;+1/p-1
InChIKeyRJBADMPNNGSGOY-UHFFFAOYSA-M
MW410.06 g/mol
LogP2.83
Rot. Bonds6

About triethylstannyl 2-(1,3-dioxoisoindol-2-yl)acetate

triethylstannyl 2-(1,3-dioxoisoindol-2-yl)acetate (PubChem CID 16684771) has the molecular formula C16H21NO4Sn and a molecular weight of 410.06 g/mol. Its IUPAC name is triethylstannyl 2-(1,3-dioxoisoindol-2-yl)acetate.

Molecular Properties

Compound Nametriethylstannyl 2-(1,3-dioxoisoindol-2-yl)acetate
PubChem CID16684771
Molecular FormulaC16H21NO4Sn
Molecular Weight410.06 g/mol
Exact Mass411.05
IUPAC Nametriethylstannyl 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESCC[Sn](CC)(CC)OC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C10H7NO4.3C2H5.Sn/c12-8(13)5-11-9(14)6-3-1-2-4-7(6)10(11)15;3*1-2;/h1-4H,5H2,(H,12,13);3*1H2,2H3;/q;;;;+1/p-1
InChIKeyRJBADMPNNGSGOY-UHFFFAOYSA-M
XLogP2.83
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.06
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-methylphenyl) 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7901050
[5-[2-(1,3-dioxoisoindol-2-yl)acetyl]oxynaphthalen-1-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 5194640
9H-fluoren-9-yl 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7951283
(2-fluorophenyl) 2-(1,3-dioxoisoindol-2-yl)acetate
CID 8764408
(2,6-dimethylphenyl) 2-(1,3-dioxoisoindol-2-yl)acetate
CID 679781
ethyl 5-(1,3-dioxoisoindol-2-yl)-4-oxo(513C)pentanoate
CID 10924265
carbanide;2-(2-oxopropyl)isoindole-1,3-dione;tungsten
CID 158979735
[(1R)-1-(4-fluorophenyl)ethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7763359
(2,4,6-trimethylphenyl) 2-(1,3-dioxoisoindol-2-yl)acetate
CID 8915391
2-(1,3-dioxoisoindol-2-yl)acetyl chloride
CID 11031536
[(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7763826
[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7951318

Frequently Asked Questions

What is the IUPAC name of triethylstannyl 2-(1,3-dioxoisoindol-2-yl)acetate?
The IUPAC name of triethylstannyl 2-(1,3-dioxoisoindol-2-yl)acetate (CID 16684771) is triethylstannyl 2-(1,3-dioxoisoindol-2-yl)acetate.
What is the SMILES notation for triethylstannyl 2-(1,3-dioxoisoindol-2-yl)acetate?
The canonical SMILES for triethylstannyl 2-(1,3-dioxoisoindol-2-yl)acetate is CC[Sn](CC)(CC)OC(=O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of triethylstannyl 2-(1,3-dioxoisoindol-2-yl)acetate?
The InChIKey is RJBADMPNNGSGOY-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H7NO4.3C2H5.Sn/c12-8(13)5-11-9(14)6-3-1-2-4-7(6)10(11)15;3*1-2;/h1-4H,5H2,(H,12,13);3*1H2,2H3;/q;;;;+1/p-1.
What are the key properties of triethylstannyl 2-(1,3-dioxoisoindol-2-yl)acetate?
triethylstannyl 2-(1,3-dioxoisoindol-2-yl)acetate has a molecular weight of 410.06 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triethylstannyl 2-(1,3-dioxoisoindol-2-yl)acetate is sourced from PubChem (CID 16684771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).