1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrrolidin-2-one

C16H25NO2Si — CID 173299510

IUPAC1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C16H25NO2Si/c1-16(2,3)20(4,5)19-14-10-8-13(9-11-14)17-12-6-7-15(17)18/h8-11H,6-7,12H2,1-5H3
InChIKeyOJBGCZSGDBYZPB-UHFFFAOYSA-N
MW291.47 g/mol
LogP4.20
Rot. Bonds3

About 1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrrolidin-2-one

1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrrolidin-2-one (PubChem CID 173299510) has the molecular formula C16H25NO2Si and a molecular weight of 291.47 g/mol. Its IUPAC name is 1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrrolidin-2-one
PubChem CID173299510
Molecular FormulaC16H25NO2Si
Molecular Weight291.47 g/mol
Exact Mass291.17
IUPAC Name1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C16H25NO2Si/c1-16(2,3)20(4,5)19-14-10-8-13(9-11-14)17-12-6-7-15(17)18/h8-11H,6-7,12H2,1-5H3
InChIKeyOJBGCZSGDBYZPB-UHFFFAOYSA-N
XLogP4.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.47
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrrolidin-2-one
CID 167376306
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-(4-methoxyphenyl)azepan-2-one
CID 66742326
ethane;1-(4-methylphenyl)pyrrolidin-2-one
CID 143607645
[4-(2-oxopyrrolidin-1-yl)phenyl] 5-methyl-1,2-oxazole-3-carboxylate
CID 51218356
1-[4-(methylamino)phenyl]pyrrolidin-2-one
CID 54310012
1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one
CID 102501069
1-(4-methylsulfinylphenyl)pyrrolidin-2-one
CID 69051347
[4-(2-oxopyrrolidin-1-yl)phenyl] furan-3-carboxylate
CID 34144593
1-(4-aminophenyl)piperidin-2-one
CID 11458178
1-[4-(3-oxocyclohexyl)oxyphenyl]pyrrolidin-2-one
CID 79619363
1-(4-ethynylphenyl)pyrrolidin-2-one
CID 134367557

Frequently Asked Questions

What is the IUPAC name of 1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrrolidin-2-one (CID 173299510) is 1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrrolidin-2-one is CC(C)(C)[Si](C)(C)Oc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrrolidin-2-one?
The InChIKey is OJBGCZSGDBYZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2Si/c1-16(2,3)20(4,5)19-14-10-8-13(9-11-14)17-12-6-7-15(17)18/h8-11H,6-7,12H2,1-5H3.
What are the key properties of 1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrrolidin-2-one?
1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrrolidin-2-one has a molecular weight of 291.47 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrrolidin-2-one is sourced from PubChem (CID 173299510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).