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

C17H27NO3Si — CID 175594357

IUPAC(5S)-1-benzyl-5-(2,2-dimethylpropylsilylperoxymethyl)pyrrolidin-2-one
SMILESCC(C)(C)C[SiH2]OOC[C@@H]1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C17H27NO3Si/c1-17(2,3)13-22-21-20-12-15-9-10-16(19)18(15)11-14-7-5-4-6-8-14/h4-8,15H,9-13,22H2,1-3H3/t15-/m0/s1
InChIKeyKRBMHOOADJOPOJ-HNNXBMFYSA-N
MW321.49 g/mol
LogP2.67
Rot. Bonds7

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

(5S)-1-benzyl-5-(2,2-dimethylpropylsilylperoxymethyl)pyrrolidin-2-one (PubChem CID 175594357) has the molecular formula C17H27NO3Si and a molecular weight of 321.49 g/mol. Its IUPAC name is (5S)-1-benzyl-5-(2,2-dimethylpropylsilylperoxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-1-benzyl-5-(2,2-dimethylpropylsilylperoxymethyl)pyrrolidin-2-one
PubChem CID175594357
Molecular FormulaC17H27NO3Si
Molecular Weight321.49 g/mol
Exact Mass321.18
IUPAC Name(5S)-1-benzyl-5-(2,2-dimethylpropylsilylperoxymethyl)pyrrolidin-2-one
SMILESCC(C)(C)C[SiH2]OOC[C@@H]1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C17H27NO3Si/c1-17(2,3)13-22-21-20-12-15-9-10-16(19)18(15)11-14-7-5-4-6-8-14/h4-8,15H,9-13,22H2,1-3H3/t15-/m0/s1
InChIKeyKRBMHOOADJOPOJ-HNNXBMFYSA-N
XLogP2.67
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

(5S)-1-benzyl-5-(2,2-dimethylpropylsilyloxymethyl)pyrrolidin-2-one
CID 174107453
CID 169193090
CID 169193090
(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
[(2S)-1-benzyl-5-oxopyrrolidin-2-yl]methyl 4-methylbenzenesulfonate
CID 10383848
1-benzyl-5-(methylsulfonylmethyl)pyrrolidin-2-one
CID 102568331
1-benzyl-5-(ethylsulfonylmethyl)pyrrolidin-2-one
CID 102568332
5-(2-aminoethyl)-1-benzylpyrrolidin-2-one
CID 53415041
1-benzyl-5-(2-hydroxyethyl)pyrrolidin-2-one
CID 115031392
(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-dimethylpropylsilylperoxymethyl)pyrrolidin-2-one?
The IUPAC name of (5S)-1-benzyl-5-(2,2-dimethylpropylsilylperoxymethyl)pyrrolidin-2-one (CID 175594357) is (5S)-1-benzyl-5-(2,2-dimethylpropylsilylperoxymethyl)pyrrolidin-2-one.
What is the SMILES notation for (5S)-1-benzyl-5-(2,2-dimethylpropylsilylperoxymethyl)pyrrolidin-2-one?
The canonical SMILES for (5S)-1-benzyl-5-(2,2-dimethylpropylsilylperoxymethyl)pyrrolidin-2-one is CC(C)(C)C[SiH2]OOC[C@@H]1CCC(=O)N1Cc1ccccc1.
What is the InChIKey of (5S)-1-benzyl-5-(2,2-dimethylpropylsilylperoxymethyl)pyrrolidin-2-one?
The InChIKey is KRBMHOOADJOPOJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H27NO3Si/c1-17(2,3)13-22-21-20-12-15-9-10-16(19)18(15)11-14-7-5-4-6-8-14/h4-8,15H,9-13,22H2,1-3H3/t15-/m0/s1.
What are the key properties of (5S)-1-benzyl-5-(2,2-dimethylpropylsilylperoxymethyl)pyrrolidin-2-one?
(5S)-1-benzyl-5-(2,2-dimethylpropylsilylperoxymethyl)pyrrolidin-2-one has a molecular weight of 321.49 g/mol, XLogP of 2.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-benzyl-5-(2,2-dimethylpropylsilylperoxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 175594357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).