(1,3-dioxoisoindol-2-yl) 2-triethoxysilylazetidine-1-carboxylate

C18H24N2O7Si — CID 59228644

IUPAC(1,3-dioxoisoindol-2-yl) 2-triethoxysilylazetidine-1-carboxylate
SMILESCCO[Si](OCC)(OCC)C1CCN1C(=O)ON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H24N2O7Si/c1-4-24-28(25-5-2,26-6-3)15-11-12-19(15)18(23)27-20-16(21)13-9-7-8-10-14(13)17(20)22/h7-10,15H,4-6,11-12H2,1-3H3
InChIKeyQNJOAOVAQYRTEM-UHFFFAOYSA-N
MW408.48 g/mol
LogP2.00
Rot. Bonds8

About (1,3-dioxoisoindol-2-yl) 2-triethoxysilylazetidine-1-carboxylate

(1,3-dioxoisoindol-2-yl) 2-triethoxysilylazetidine-1-carboxylate (PubChem CID 59228644) has the molecular formula C18H24N2O7Si and a molecular weight of 408.48 g/mol. Its IUPAC name is (1,3-dioxoisoindol-2-yl) 2-triethoxysilylazetidine-1-carboxylate.

Molecular Properties

Compound Name(1,3-dioxoisoindol-2-yl) 2-triethoxysilylazetidine-1-carboxylate
PubChem CID59228644
Molecular FormulaC18H24N2O7Si
Molecular Weight408.48 g/mol
Exact Mass408.14
IUPAC Name(1,3-dioxoisoindol-2-yl) 2-triethoxysilylazetidine-1-carboxylate
SMILESCCO[Si](OCC)(OCC)C1CCN1C(=O)ON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H24N2O7Si/c1-4-24-28(25-5-2,26-6-3)15-11-12-19(15)18(23)27-20-16(21)13-9-7-8-10-14(13)17(20)22/h7-10,15H,4-6,11-12H2,1-3H3
InChIKeyQNJOAOVAQYRTEM-UHFFFAOYSA-N
XLogP2.00
TPSA94.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (1,3-dioxoisoindol-2-yl) 2-triethoxysilylazetidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1,3-dioxoisoindol-2-yl) 2-triethoxysilylazetidine-1-carboxylate?
The IUPAC name of (1,3-dioxoisoindol-2-yl) 2-triethoxysilylazetidine-1-carboxylate (CID 59228644) is (1,3-dioxoisoindol-2-yl) 2-triethoxysilylazetidine-1-carboxylate.
What is the SMILES notation for (1,3-dioxoisoindol-2-yl) 2-triethoxysilylazetidine-1-carboxylate?
The canonical SMILES for (1,3-dioxoisoindol-2-yl) 2-triethoxysilylazetidine-1-carboxylate is CCO[Si](OCC)(OCC)C1CCN1C(=O)ON1C(=O)c2ccccc2C1=O.
What is the InChIKey of (1,3-dioxoisoindol-2-yl) 2-triethoxysilylazetidine-1-carboxylate?
The InChIKey is QNJOAOVAQYRTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O7Si/c1-4-24-28(25-5-2,26-6-3)15-11-12-19(15)18(23)27-20-16(21)13-9-7-8-10-14(13)17(20)22/h7-10,15H,4-6,11-12H2,1-3H3.
What are the key properties of (1,3-dioxoisoindol-2-yl) 2-triethoxysilylazetidine-1-carboxylate?
(1,3-dioxoisoindol-2-yl) 2-triethoxysilylazetidine-1-carboxylate has a molecular weight of 408.48 g/mol, XLogP of 2.00, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dioxoisoindol-2-yl) 2-triethoxysilylazetidine-1-carboxylate is sourced from PubChem (CID 59228644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).