3-methyl-1-(1-trimethoxysilylpropyl)pyrrole-2,5-dione

C11H19NO5Si — CID 18448701

IUPAC3-methyl-1-(1-trimethoxysilylpropyl)pyrrole-2,5-dione
SMILESCCC(N1C(=O)C=C(C)C1=O)[Si](OC)(OC)OC
InChIInChI=1S/C11H19NO5Si/c1-6-10(18(15-3,16-4)17-5)12-9(13)7-8(2)11(12)14/h7,10H,6H2,1-5H3
InChIKeyXOUBBRKGELUHFI-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.50
Rot. Bonds6

About 3-methyl-1-(1-trimethoxysilylpropyl)pyrrole-2,5-dione

3-methyl-1-(1-trimethoxysilylpropyl)pyrrole-2,5-dione (PubChem CID 18448701) has the molecular formula C11H19NO5Si and a molecular weight of 273.36 g/mol. Its IUPAC name is 3-methyl-1-(1-trimethoxysilylpropyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-(1-trimethoxysilylpropyl)pyrrole-2,5-dione
PubChem CID18448701
Molecular FormulaC11H19NO5Si
Molecular Weight273.36 g/mol
Exact Mass273.10
IUPAC Name3-methyl-1-(1-trimethoxysilylpropyl)pyrrole-2,5-dione
SMILESCCC(N1C(=O)C=C(C)C1=O)[Si](OC)(OC)OC
InChIInChI=1S/C11H19NO5Si/c1-6-10(18(15-3,16-4)17-5)12-9(13)7-8(2)11(12)14/h7,10H,6H2,1-5H3
InChIKeyXOUBBRKGELUHFI-UHFFFAOYSA-N
XLogP0.50
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 3-methyl-1-(1-trimethoxysilylpropyl)pyrrole-2,5-dione?
The IUPAC name of 3-methyl-1-(1-trimethoxysilylpropyl)pyrrole-2,5-dione (CID 18448701) is 3-methyl-1-(1-trimethoxysilylpropyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-methyl-1-(1-trimethoxysilylpropyl)pyrrole-2,5-dione?
The canonical SMILES for 3-methyl-1-(1-trimethoxysilylpropyl)pyrrole-2,5-dione is CCC(N1C(=O)C=C(C)C1=O)[Si](OC)(OC)OC.
What is the InChIKey of 3-methyl-1-(1-trimethoxysilylpropyl)pyrrole-2,5-dione?
The InChIKey is XOUBBRKGELUHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5Si/c1-6-10(18(15-3,16-4)17-5)12-9(13)7-8(2)11(12)14/h7,10H,6H2,1-5H3.
What are the key properties of 3-methyl-1-(1-trimethoxysilylpropyl)pyrrole-2,5-dione?
3-methyl-1-(1-trimethoxysilylpropyl)pyrrole-2,5-dione has a molecular weight of 273.36 g/mol, XLogP of 0.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-trimethoxysilylpropyl)pyrrole-2,5-dione is sourced from PubChem (CID 18448701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).