(5S)-1-benzyl-5-(2,2-dimethylpropylsilyloxymethyl)pyrrolidin-2-one

C17H27NO2Si — CID 174107453

IUPAC(5S)-1-benzyl-5-(2,2-dimethylpropylsilyloxymethyl)pyrrolidin-2-one
SMILESCC(C)(C)C[SiH2]OC[C@@H]1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C17H27NO2Si/c1-17(2,3)13-21-20-12-15-9-10-16(19)18(15)11-14-7-5-4-6-8-14/h4-8,15H,9-13,21H2,1-3H3/t15-/m0/s1
InChIKeyXLZXLHCEWRABRY-HNNXBMFYSA-N
MW305.49 g/mol
LogP2.74
Rot. Bonds6

About (5S)-1-benzyl-5-(2,2-dimethylpropylsilyloxymethyl)pyrrolidin-2-one

(5S)-1-benzyl-5-(2,2-dimethylpropylsilyloxymethyl)pyrrolidin-2-one (PubChem CID 174107453) has the molecular formula C17H27NO2Si and a molecular weight of 305.49 g/mol. Its IUPAC name is (5S)-1-benzyl-5-(2,2-dimethylpropylsilyloxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-1-benzyl-5-(2,2-dimethylpropylsilyloxymethyl)pyrrolidin-2-one
PubChem CID174107453
Molecular FormulaC17H27NO2Si
Molecular Weight305.49 g/mol
Exact Mass305.18
IUPAC Name(5S)-1-benzyl-5-(2,2-dimethylpropylsilyloxymethyl)pyrrolidin-2-one
SMILESCC(C)(C)C[SiH2]OC[C@@H]1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C17H27NO2Si/c1-17(2,3)13-21-20-12-15-9-10-16(19)18(15)11-14-7-5-4-6-8-14/h4-8,15H,9-13,21H2,1-3H3/t15-/m0/s1
InChIKeyXLZXLHCEWRABRY-HNNXBMFYSA-N
XLogP2.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5S)-1-benzyl-5-(2,2-dimethylpropylsilylperoxymethyl)pyrrolidin-2-one
CID 175594357
CID 169193090
CID 169193090
[(2S)-1-benzyl-5-oxopyrrolidin-2-yl]methyl 4-methylbenzenesulfonate
CID 10383848
(5S)-1-benzyl-5-tert-butylpyrrolidin-2-one
CID 141337970
(5S)-1-benzyl-5-(hydroxymethyl)pyrrolidin-2-one
CID 10442943
(5S)-1-benzyl-5-(1,1-dihydroxyethyl)pyrrolidin-2-one
CID 22845684
1-benzyl-5-[(dimethylamino)methyl]pyrrolidin-2-one
CID 14129470
1-benzyl-5-(methylsulfonylmethyl)pyrrolidin-2-one
CID 102568331
1-benzyl-5-(ethylsulfonylmethyl)pyrrolidin-2-one
CID 102568332
1-benzyl-5-(2-hydroxyethyl)pyrrolidin-2-one
CID 115031392
5-(2-aminoethyl)-1-benzylpyrrolidin-2-one
CID 53415041
(5R)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one;(2R)-1-benzyl-5,5-dimethylpyrrolidine-2-carbaldehyde
CID 165026609

Frequently Asked Questions

What is the IUPAC name of (5S)-1-benzyl-5-(2,2-dimethylpropylsilyloxymethyl)pyrrolidin-2-one?
The IUPAC name of (5S)-1-benzyl-5-(2,2-dimethylpropylsilyloxymethyl)pyrrolidin-2-one (CID 174107453) is (5S)-1-benzyl-5-(2,2-dimethylpropylsilyloxymethyl)pyrrolidin-2-one.
What is the SMILES notation for (5S)-1-benzyl-5-(2,2-dimethylpropylsilyloxymethyl)pyrrolidin-2-one?
The canonical SMILES for (5S)-1-benzyl-5-(2,2-dimethylpropylsilyloxymethyl)pyrrolidin-2-one is CC(C)(C)C[SiH2]OC[C@@H]1CCC(=O)N1Cc1ccccc1.
What is the InChIKey of (5S)-1-benzyl-5-(2,2-dimethylpropylsilyloxymethyl)pyrrolidin-2-one?
The InChIKey is XLZXLHCEWRABRY-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H27NO2Si/c1-17(2,3)13-21-20-12-15-9-10-16(19)18(15)11-14-7-5-4-6-8-14/h4-8,15H,9-13,21H2,1-3H3/t15-/m0/s1.
What are the key properties of (5S)-1-benzyl-5-(2,2-dimethylpropylsilyloxymethyl)pyrrolidin-2-one?
(5S)-1-benzyl-5-(2,2-dimethylpropylsilyloxymethyl)pyrrolidin-2-one has a molecular weight of 305.49 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-benzyl-5-(2,2-dimethylpropylsilyloxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 174107453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).