4,4-dimethyl-1-phenyl-2-trimethylsilylpyrazolidin-3-one

C14H22N2OSi — CID 91739526

IUPAC4,4-dimethyl-1-phenyl-2-trimethylsilylpyrazolidin-3-one
SMILESCC1(C)CN(c2ccccc2)N([Si](C)(C)C)C1=O
InChIInChI=1S/C14H22N2OSi/c1-14(2)11-15(12-9-7-6-8-10-12)16(13(14)17)18(3,4)5/h6-10H,11H2,1-5H3
InChIKeyBBPIEXMEMJQVMP-UHFFFAOYSA-N
MW262.43 g/mol
LogP3.11
Rot. Bonds2

About 4,4-dimethyl-1-phenyl-2-trimethylsilylpyrazolidin-3-one

4,4-dimethyl-1-phenyl-2-trimethylsilylpyrazolidin-3-one (PubChem CID 91739526) has the molecular formula C14H22N2OSi and a molecular weight of 262.43 g/mol. Its IUPAC name is 4,4-dimethyl-1-phenyl-2-trimethylsilylpyrazolidin-3-one.

Molecular Properties

Compound Name4,4-dimethyl-1-phenyl-2-trimethylsilylpyrazolidin-3-one
PubChem CID91739526
Molecular FormulaC14H22N2OSi
Molecular Weight262.43 g/mol
Exact Mass262.15
IUPAC Name4,4-dimethyl-1-phenyl-2-trimethylsilylpyrazolidin-3-one
SMILESCC1(C)CN(c2ccccc2)N([Si](C)(C)C)C1=O
InChIInChI=1S/C14H22N2OSi/c1-14(2)11-15(12-9-7-6-8-10-12)16(13(14)17)18(3,4)5/h6-10H,11H2,1-5H3
InChIKeyBBPIEXMEMJQVMP-UHFFFAOYSA-N
XLogP3.11
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.43
LogP ≤ 53.11
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

2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1-phenylpyrazolidin-3-one
CID 134119722
(3R,4R)-3-methyl-1,3,4-triphenyl-4-sulfanylazetidin-2-one
CID 102253073
CID 59919906
CID 59919906
2-acetyl-1-(3-aminophenyl)-4,4-dimethylpyrazolidin-3-one
CID 91733480
5-(hydroxymethyl)-5-methyl-3-phenyl-1,3-oxazolidin-2-one
CID 115064715
(3aR)-3a-methyl-2-phenyl-4,5,6,7-tetrahydroindazol-3-one
CID 95562569
4-(3,4-dimethyl-5-oxo-1-phenylpyrazol-4-yl)-4,5-dimethyl-2-phenylpyrazol-3-one
CID 43834929
2-methyl-1-phenyl-5H-tetrazole
CID 174331728
4,4-dichloro-5-methyl-2-phenylpyrazol-3-one
CID 847413
3,3,4-trimethyl-1-phenylpiperazin-2-one
CID 146646234
(5R)-5-[(1S)-1-fluoroethyl]-5-methyl-3-phenyl-1,3-oxazolidine-2,4-dione
CID 139049260
5,6-diphenyl-5,6-diazaspiro[2.4]heptane-4,7-dione
CID 171843834

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-phenyl-2-trimethylsilylpyrazolidin-3-one?
The IUPAC name of 4,4-dimethyl-1-phenyl-2-trimethylsilylpyrazolidin-3-one (CID 91739526) is 4,4-dimethyl-1-phenyl-2-trimethylsilylpyrazolidin-3-one.
What is the SMILES notation for 4,4-dimethyl-1-phenyl-2-trimethylsilylpyrazolidin-3-one?
The canonical SMILES for 4,4-dimethyl-1-phenyl-2-trimethylsilylpyrazolidin-3-one is CC1(C)CN(c2ccccc2)N([Si](C)(C)C)C1=O.
What is the InChIKey of 4,4-dimethyl-1-phenyl-2-trimethylsilylpyrazolidin-3-one?
The InChIKey is BBPIEXMEMJQVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OSi/c1-14(2)11-15(12-9-7-6-8-10-12)16(13(14)17)18(3,4)5/h6-10H,11H2,1-5H3.
What are the key properties of 4,4-dimethyl-1-phenyl-2-trimethylsilylpyrazolidin-3-one?
4,4-dimethyl-1-phenyl-2-trimethylsilylpyrazolidin-3-one has a molecular weight of 262.43 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-phenyl-2-trimethylsilylpyrazolidin-3-one is sourced from PubChem (CID 91739526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).