1-(1-triethoxysilylpropyl)pyrrole-2,5-dione

C13H23NO5Si — CID 22642047

IUPAC1-(1-triethoxysilylpropyl)pyrrole-2,5-dione
SMILESCCO[Si](OCC)(OCC)C(CC)N1C(=O)C=CC1=O
InChIInChI=1S/C13H23NO5Si/c1-5-13(14-11(15)9-10-12(14)16)20(17-6-2,18-7-3)19-8-4/h9-10,13H,5-8H2,1-4H3
InChIKeySIRFXGXIHIKJCN-UHFFFAOYSA-N
MW301.42 g/mol
LogP1.28
Rot. Bonds9

About 1-(1-triethoxysilylpropyl)pyrrole-2,5-dione

1-(1-triethoxysilylpropyl)pyrrole-2,5-dione (PubChem CID 22642047) has the molecular formula C13H23NO5Si and a molecular weight of 301.42 g/mol. Its IUPAC name is 1-(1-triethoxysilylpropyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(1-triethoxysilylpropyl)pyrrole-2,5-dione
PubChem CID22642047
Molecular FormulaC13H23NO5Si
Molecular Weight301.42 g/mol
Exact Mass301.13
IUPAC Name1-(1-triethoxysilylpropyl)pyrrole-2,5-dione
SMILESCCO[Si](OCC)(OCC)C(CC)N1C(=O)C=CC1=O
InChIInChI=1S/C13H23NO5Si/c1-5-13(14-11(15)9-10-12(14)16)20(17-6-2,18-7-3)19-8-4/h9-10,13H,5-8H2,1-4H3
InChIKeySIRFXGXIHIKJCN-UHFFFAOYSA-N
XLogP1.28
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 51.28
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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Related Compounds

1H-Pyrrole-2,5-dione, 1-[3-(triethoxysilyl)propyl]-
CID 122424
1-[3-[[[3-(2,5-Dioxopyrrol-1-yl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]pyrrole-2,5-dione
CID 21301829
n-Propyl-n-(3-triisopropoxysilylpropyl)acrylamide
CID 23116907
1H-Pyrrole-2,5-dione, 1-[3-(trimethoxysilyl)propyl]-
CID 9878349
1-(3-Trimethylsilylpropyl)pyrrole-2,5-dione
CID 10727221
1-[2-(Trimethylsilylmethyl)prop-2-enyl]pyrrole-2,5-dione
CID 10489291
N,N-bis[3-[diethoxy(methyl)silyl]propyl]prop-2-enamide
CID 14794050
N,N-bis(3-trimethoxysilylpropyl)prop-2-enamide
CID 14794054
N-[3-[diethoxy(methyl)silyl]propyl]-N-prop-2-enylprop-2-enamide
CID 14876446
1-[3-Tris(trimethylsilyloxy)silylpropyl]pyrrole-2,5-dione
CID 15294710
1-(1-Trimethoxysilylpropyl)pyrrole-2,5-dione
CID 18442227
3-Methyl-1-(1-trimethoxysilylpropyl)pyrrole-2,5-dione
CID 18448701

Frequently Asked Questions

What is the IUPAC name of 1-(1-triethoxysilylpropyl)pyrrole-2,5-dione?
The IUPAC name of 1-(1-triethoxysilylpropyl)pyrrole-2,5-dione (CID 22642047) is 1-(1-triethoxysilylpropyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(1-triethoxysilylpropyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(1-triethoxysilylpropyl)pyrrole-2,5-dione is CCO[Si](OCC)(OCC)C(CC)N1C(=O)C=CC1=O.
What is the InChIKey of 1-(1-triethoxysilylpropyl)pyrrole-2,5-dione?
The InChIKey is SIRFXGXIHIKJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5Si/c1-5-13(14-11(15)9-10-12(14)16)20(17-6-2,18-7-3)19-8-4/h9-10,13H,5-8H2,1-4H3.
What are the key properties of 1-(1-triethoxysilylpropyl)pyrrole-2,5-dione?
1-(1-triethoxysilylpropyl)pyrrole-2,5-dione has a molecular weight of 301.42 g/mol, XLogP of 1.28, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-triethoxysilylpropyl)pyrrole-2,5-dione is sourced from PubChem (CID 22642047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).