5-[3-[tert-butyl(dimethyl)silyl]oxy-4-(3-phenylphenyl)butyl]pyrrolidin-2-one

C26H37NO2Si — CID 22712479

IUPAC5-[3-[tert-butyl(dimethyl)silyl]oxy-4-(3-phenylphenyl)butyl]pyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OC(CCC1CCC(=O)N1)Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C26H37NO2Si/c1-26(2,3)30(4,5)29-24(16-14-23-15-17-25(28)27-23)19-20-10-9-13-22(18-20)21-11-7-6-8-12-21/h6-13,18,23-24H,14-17,19H2,1-5H3,(H,27,28)
InChIKeyJLUPKRIHFCXUKH-UHFFFAOYSA-N
MW423.67 g/mol
LogP6.35
Rot. Bonds8

About 5-[3-[tert-butyl(dimethyl)silyl]oxy-4-(3-phenylphenyl)butyl]pyrrolidin-2-one

5-[3-[tert-butyl(dimethyl)silyl]oxy-4-(3-phenylphenyl)butyl]pyrrolidin-2-one (PubChem CID 22712479) has the molecular formula C26H37NO2Si and a molecular weight of 423.67 g/mol. Its IUPAC name is 5-[3-[tert-butyl(dimethyl)silyl]oxy-4-(3-phenylphenyl)butyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[3-[tert-butyl(dimethyl)silyl]oxy-4-(3-phenylphenyl)butyl]pyrrolidin-2-one
PubChem CID22712479
Molecular FormulaC26H37NO2Si
Molecular Weight423.67 g/mol
Exact Mass423.26
IUPAC Name5-[3-[tert-butyl(dimethyl)silyl]oxy-4-(3-phenylphenyl)butyl]pyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OC(CCC1CCC(=O)N1)Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C26H37NO2Si/c1-26(2,3)30(4,5)29-24(16-14-23-15-17-25(28)27-23)19-20-10-9-13-22(18-20)21-11-7-6-8-12-21/h6-13,18,23-24H,14-17,19H2,1-5H3,(H,27,28)
InChIKeyJLUPKRIHFCXUKH-UHFFFAOYSA-N
XLogP6.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.67
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-3-(3-fluorophenyl)-3-methyl-4-tri(propan-2-yl)silyloxybutanamide
CID 155935101
(3S,3aR,7aR)-3-benzyl-3a-methyl-4-tri(propan-2-yl)silyloxy-3,6,7,7a-tetrahydro-1H-indol-2-one
CID 386831
5-[3-(Tert-butyldimethyl-silanyloxy)-4-(3-fluoro-phenyl)-butyl]-pyrrolidin-2-one
CID 12970095
5-[3-(Tert-butyl-dimethyl-silanyloxy)-4-(3-trifluoromethyl-phenyl)-butyl]-pyrrolidin-2-one
CID 12970098
5-[3-(Tert-butyl-dimethyl-silanyloxy)4-(4-fluoro-phenyl)-butyl]-pyrrolidin-2-one
CID 22712520
(5S)-5-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-difluoro-4-phenylbutyl]pyrrolidin-2-one
CID 60043929
(5R)-5-[3-[butyl-(5-butylnonan-5-yl)-methylsilyl]oxy-4,4-difluoro-4-phenylbut-1-enyl]pyrrolidin-2-one
CID 90746183
(5S)-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-difluoro-4-phenylbutyl]pyrrolidin-2-one
CID 146027475
(5S)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentyl]pyrrolidin-2-one
CID 138981266
(5S)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentyl]-1-methylpyrrolidin-2-one
CID 138981267
3-benzyl-3a-methyl-4-triisopropylsilyloxy-3,6,7,7a-tetrahydro-1H-indol-2-one
CID 496105
2-phenyl-N-[(1R,2R)-1-phenyl-1-trimethylsilyloxypropan-2-yl]butanamide
CID 91753972

Frequently Asked Questions

What is the IUPAC name of 5-[3-[tert-butyl(dimethyl)silyl]oxy-4-(3-phenylphenyl)butyl]pyrrolidin-2-one?
The IUPAC name of 5-[3-[tert-butyl(dimethyl)silyl]oxy-4-(3-phenylphenyl)butyl]pyrrolidin-2-one (CID 22712479) is 5-[3-[tert-butyl(dimethyl)silyl]oxy-4-(3-phenylphenyl)butyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[3-[tert-butyl(dimethyl)silyl]oxy-4-(3-phenylphenyl)butyl]pyrrolidin-2-one?
The canonical SMILES for 5-[3-[tert-butyl(dimethyl)silyl]oxy-4-(3-phenylphenyl)butyl]pyrrolidin-2-one is CC(C)(C)[Si](C)(C)OC(CCC1CCC(=O)N1)Cc1cccc(-c2ccccc2)c1.
What is the InChIKey of 5-[3-[tert-butyl(dimethyl)silyl]oxy-4-(3-phenylphenyl)butyl]pyrrolidin-2-one?
The InChIKey is JLUPKRIHFCXUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37NO2Si/c1-26(2,3)30(4,5)29-24(16-14-23-15-17-25(28)27-23)19-20-10-9-13-22(18-20)21-11-7-6-8-12-21/h6-13,18,23-24H,14-17,19H2,1-5H3,(H,27,28).
What are the key properties of 5-[3-[tert-butyl(dimethyl)silyl]oxy-4-(3-phenylphenyl)butyl]pyrrolidin-2-one?
5-[3-[tert-butyl(dimethyl)silyl]oxy-4-(3-phenylphenyl)butyl]pyrrolidin-2-one has a molecular weight of 423.67 g/mol, XLogP of 6.35, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[tert-butyl(dimethyl)silyl]oxy-4-(3-phenylphenyl)butyl]pyrrolidin-2-one is sourced from PubChem (CID 22712479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).