1-(1-triethoxysilylethyl)pyrrolidin-2-one

C12H25NO4Si — CID 3071421

IUPAC1-(1-triethoxysilylethyl)pyrrolidin-2-one
SMILESCCO[Si](OCC)(OCC)C(C)N1CCCC1=O
InChIInChI=1S/C12H25NO4Si/c1-5-15-18(16-6-2,17-7-3)11(4)13-10-8-9-12(13)14/h11H,5-10H2,1-4H3
InChIKeyIXLXRIJNQHEHFX-UHFFFAOYSA-N
MW275.42 g/mol
LogP1.58
Rot. Bonds8

About 1-(1-triethoxysilylethyl)pyrrolidin-2-one

1-(1-triethoxysilylethyl)pyrrolidin-2-one (PubChem CID 3071421) has the molecular formula C12H25NO4Si and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-(1-triethoxysilylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1-triethoxysilylethyl)pyrrolidin-2-one
PubChem CID3071421
Molecular FormulaC12H25NO4Si
Molecular Weight275.42 g/mol
Exact Mass275.16
IUPAC Name1-(1-triethoxysilylethyl)pyrrolidin-2-one
SMILESCCO[Si](OCC)(OCC)C(C)N1CCCC1=O
InChIInChI=1S/C12H25NO4Si/c1-5-15-18(16-6-2,17-7-3)11(4)13-10-8-9-12(13)14/h11H,5-10H2,1-4H3
InChIKeyIXLXRIJNQHEHFX-UHFFFAOYSA-N
XLogP1.58
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-triethoxysilylethyl)pyrrolidin-2-one?
The IUPAC name of 1-(1-triethoxysilylethyl)pyrrolidin-2-one (CID 3071421) is 1-(1-triethoxysilylethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(1-triethoxysilylethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(1-triethoxysilylethyl)pyrrolidin-2-one is CCO[Si](OCC)(OCC)C(C)N1CCCC1=O.
What is the InChIKey of 1-(1-triethoxysilylethyl)pyrrolidin-2-one?
The InChIKey is IXLXRIJNQHEHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4Si/c1-5-15-18(16-6-2,17-7-3)11(4)13-10-8-9-12(13)14/h11H,5-10H2,1-4H3.
What are the key properties of 1-(1-triethoxysilylethyl)pyrrolidin-2-one?
1-(1-triethoxysilylethyl)pyrrolidin-2-one has a molecular weight of 275.42 g/mol, XLogP of 1.58, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-triethoxysilylethyl)pyrrolidin-2-one is sourced from PubChem (CID 3071421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).