(3S,4S,5R)-1-benzyl-4-[dimethyl(phenyl)silyl]-3,5-dimethylpyrrolidin-2-one

C21H27NOSi — CID 15853429

IUPAC(3S,4S,5R)-1-benzyl-4-[dimethyl(phenyl)silyl]-3,5-dimethylpyrrolidin-2-one
SMILESC[C@@H]1[C@@H]([Si](C)(C)c2ccccc2)[C@@H](C)C(=O)N1Cc1ccccc1
InChIInChI=1S/C21H27NOSi/c1-16-20(24(3,4)19-13-9-6-10-14-19)17(2)22(21(16)23)15-18-11-7-5-8-12-18/h5-14,16-17,20H,15H2,1-4H3/t16-,17-,20+/m1/s1
InChIKeyGQSYWNCLZNYJJT-HLIPFELVSA-N
MW337.54 g/mol
LogP4.04
Rot. Bonds4

About (3S,4S,5R)-1-benzyl-4-[dimethyl(phenyl)silyl]-3,5-dimethylpyrrolidin-2-one

(3S,4S,5R)-1-benzyl-4-[dimethyl(phenyl)silyl]-3,5-dimethylpyrrolidin-2-one (PubChem CID 15853429) has the molecular formula C21H27NOSi and a molecular weight of 337.54 g/mol. Its IUPAC name is (3S,4S,5R)-1-benzyl-4-[dimethyl(phenyl)silyl]-3,5-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S,4S,5R)-1-benzyl-4-[dimethyl(phenyl)silyl]-3,5-dimethylpyrrolidin-2-one
PubChem CID15853429
Molecular FormulaC21H27NOSi
Molecular Weight337.54 g/mol
Exact Mass337.19
IUPAC Name(3S,4S,5R)-1-benzyl-4-[dimethyl(phenyl)silyl]-3,5-dimethylpyrrolidin-2-one
SMILESC[C@@H]1[C@@H]([Si](C)(C)c2ccccc2)[C@@H](C)C(=O)N1Cc1ccccc1
InChIInChI=1S/C21H27NOSi/c1-16-20(24(3,4)19-13-9-6-10-14-19)17(2)22(21(16)23)15-18-11-7-5-8-12-18/h5-14,16-17,20H,15H2,1-4H3/t16-,17-,20+/m1/s1
InChIKeyGQSYWNCLZNYJJT-HLIPFELVSA-N
XLogP4.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.54
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 875288
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N-methyl-2-phenyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 3298213
2,2-Dimethyl-1-(2-phenylpyrrolidin-1-yl)propan-1-one
CID 60723604
1-Benzyl-4-phenylpyrrolidin-2-one
CID 2843346
2-Methyl-N,N-bis(phenylmethyl)propionamide
CID 94897
(1-Benzylpiperidin-4-yl)-pyrrolidin-1-ylmethanone
CID 883949
N-benzyl-N-tert-butyl-3-phenylpropanamide
CID 1319993
5-methyl-2-(1-phenylethyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
CID 2971730
(3R,3aR,7aS)-2-benzyl-3-(3-methylphenyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one
CID 16060139
(3R,3aR,7aS)-3-(3-methylphenyl)-2-prop-2-enyl-3a,6,7,7a-tetrahydro-3H-isoindol-1-one
CID 16060140

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5R)-1-benzyl-4-[dimethyl(phenyl)silyl]-3,5-dimethylpyrrolidin-2-one?
The IUPAC name of (3S,4S,5R)-1-benzyl-4-[dimethyl(phenyl)silyl]-3,5-dimethylpyrrolidin-2-one (CID 15853429) is (3S,4S,5R)-1-benzyl-4-[dimethyl(phenyl)silyl]-3,5-dimethylpyrrolidin-2-one.
What is the SMILES notation for (3S,4S,5R)-1-benzyl-4-[dimethyl(phenyl)silyl]-3,5-dimethylpyrrolidin-2-one?
The canonical SMILES for (3S,4S,5R)-1-benzyl-4-[dimethyl(phenyl)silyl]-3,5-dimethylpyrrolidin-2-one is C[C@@H]1[C@@H]([Si](C)(C)c2ccccc2)[C@@H](C)C(=O)N1Cc1ccccc1.
What is the InChIKey of (3S,4S,5R)-1-benzyl-4-[dimethyl(phenyl)silyl]-3,5-dimethylpyrrolidin-2-one?
The InChIKey is GQSYWNCLZNYJJT-HLIPFELVSA-N. The full InChI is InChI=1S/C21H27NOSi/c1-16-20(24(3,4)19-13-9-6-10-14-19)17(2)22(21(16)23)15-18-11-7-5-8-12-18/h5-14,16-17,20H,15H2,1-4H3/t16-,17-,20+/m1/s1.
What are the key properties of (3S,4S,5R)-1-benzyl-4-[dimethyl(phenyl)silyl]-3,5-dimethylpyrrolidin-2-one?
(3S,4S,5R)-1-benzyl-4-[dimethyl(phenyl)silyl]-3,5-dimethylpyrrolidin-2-one has a molecular weight of 337.54 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5R)-1-benzyl-4-[dimethyl(phenyl)silyl]-3,5-dimethylpyrrolidin-2-one is sourced from PubChem (CID 15853429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).