1-(4,4-diethoxy-1-silylbutyl)pyrrolidine-2,5-dione

C12H23NO4Si — CID 174895651

IUPAC1-(4,4-diethoxy-1-silylbutyl)pyrrolidine-2,5-dione
SMILESCCOC(CCC([SiH3])N1C(=O)CCC1=O)OCC
InChIInChI=1S/C12H23NO4Si/c1-3-16-12(17-4-2)8-7-11(18)13-9(14)5-6-10(13)15/h11-12H,3-8H2,1-2,18H3
InChIKeyLAYQBIVENQZKLX-UHFFFAOYSA-N
MW273.40 g/mol
LogP0.01
Rot. Bonds8

About 1-(4,4-diethoxy-1-silylbutyl)pyrrolidine-2,5-dione

1-(4,4-diethoxy-1-silylbutyl)pyrrolidine-2,5-dione (PubChem CID 174895651) has the molecular formula C12H23NO4Si and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-(4,4-diethoxy-1-silylbutyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4,4-diethoxy-1-silylbutyl)pyrrolidine-2,5-dione
PubChem CID174895651
Molecular FormulaC12H23NO4Si
Molecular Weight273.40 g/mol
Exact Mass273.14
IUPAC Name1-(4,4-diethoxy-1-silylbutyl)pyrrolidine-2,5-dione
SMILESCCOC(CCC([SiH3])N1C(=O)CCC1=O)OCC
InChIInChI=1S/C12H23NO4Si/c1-3-16-12(17-4-2)8-7-11(18)13-9(14)5-6-10(13)15/h11-12H,3-8H2,1-2,18H3
InChIKeyLAYQBIVENQZKLX-UHFFFAOYSA-N
XLogP0.01
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(3,3-diethoxypropyl)pyrrolidin-2-one
CID 63628099
1-(3,3-diethoxypropyl)-4-propylpiperazine-2,5-dione
CID 79942577
1-(3,3-diethoxypropyl)-3-ethylimidazol-2-one
CID 80580890
1-(3-methylpentan-2-yl)pyrrolidine-2,5-dione
CID 126487377
1-(3,3-diethoxypropyl)-3-propylimidazol-2-one
CID 80581244
3-(3,3-diethoxypropyl)-2-methylcyclopent-2-en-1-one
CID 58101230
1-(1-butoxyethyl)pyrrolidine-2,5-dione
CID 24975057
1,1,7,7-tetraethoxyheptan-4-amine
CID 10469545
1-(1-aminopropyl)pyrrolidine-2,5-dione
CID 155092296
1-(2-ethoxy-2-methoxyethyl)pyrrolidin-2-one
CID 155174816
1-(2,2-diethoxyethyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711208
1-(3,3-diethoxypropyl)-1,3-diazinan-2-one
CID 69224786

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-diethoxy-1-silylbutyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4,4-diethoxy-1-silylbutyl)pyrrolidine-2,5-dione (CID 174895651) is 1-(4,4-diethoxy-1-silylbutyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4,4-diethoxy-1-silylbutyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4,4-diethoxy-1-silylbutyl)pyrrolidine-2,5-dione is CCOC(CCC([SiH3])N1C(=O)CCC1=O)OCC.
What is the InChIKey of 1-(4,4-diethoxy-1-silylbutyl)pyrrolidine-2,5-dione?
The InChIKey is LAYQBIVENQZKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4Si/c1-3-16-12(17-4-2)8-7-11(18)13-9(14)5-6-10(13)15/h11-12H,3-8H2,1-2,18H3.
What are the key properties of 1-(4,4-diethoxy-1-silylbutyl)pyrrolidine-2,5-dione?
1-(4,4-diethoxy-1-silylbutyl)pyrrolidine-2,5-dione has a molecular weight of 273.40 g/mol, XLogP of 0.01, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-diethoxy-1-silylbutyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 174895651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).