(4R,5R)-1-benzyl-4-[dimethyl(phenyl)silyl]-5-propan-2-ylpyrrolidin-2-one

C22H29NOSi — CID 134945483

IUPAC(4R,5R)-1-benzyl-4-[dimethyl(phenyl)silyl]-5-propan-2-ylpyrrolidin-2-one
SMILESCC(C)[C@@H]1[C@H]([Si](C)(C)c2ccccc2)CC(=O)N1Cc1ccccc1
InChIInChI=1S/C22H29NOSi/c1-17(2)22-20(25(3,4)19-13-9-6-10-14-19)15-21(24)23(22)16-18-11-7-5-8-12-18/h5-14,17,20,22H,15-16H2,1-4H3/t20-,22-/m1/s1
InChIKeyOPLHVRMPAIOAIS-IFMALSPDSA-N
MW351.57 g/mol
LogP4.43
Rot. Bonds5

About (4R,5R)-1-benzyl-4-[dimethyl(phenyl)silyl]-5-propan-2-ylpyrrolidin-2-one

(4R,5R)-1-benzyl-4-[dimethyl(phenyl)silyl]-5-propan-2-ylpyrrolidin-2-one (PubChem CID 134945483) has the molecular formula C22H29NOSi and a molecular weight of 351.57 g/mol. Its IUPAC name is (4R,5R)-1-benzyl-4-[dimethyl(phenyl)silyl]-5-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-1-benzyl-4-[dimethyl(phenyl)silyl]-5-propan-2-ylpyrrolidin-2-one
PubChem CID134945483
Molecular FormulaC22H29NOSi
Molecular Weight351.57 g/mol
Exact Mass351.20
IUPAC Name(4R,5R)-1-benzyl-4-[dimethyl(phenyl)silyl]-5-propan-2-ylpyrrolidin-2-one
SMILESCC(C)[C@@H]1[C@H]([Si](C)(C)c2ccccc2)CC(=O)N1Cc1ccccc1
InChIInChI=1S/C22H29NOSi/c1-17(2)22-20(25(3,4)19-13-9-6-10-14-19)15-21(24)23(22)16-18-11-7-5-8-12-18/h5-14,17,20,22H,15-16H2,1-4H3/t20-,22-/m1/s1
InChIKeyOPLHVRMPAIOAIS-IFMALSPDSA-N
XLogP4.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.57
LogP ≤ 54.43
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 11673314
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CID 692800
N-Methyl-N-(1-phenyl-2-(1-pyrrolidinyl)ethyl)phenylacetamide
CID 190901
N-benzyl-N-methyl-3-phenylpropanamide
CID 670103
N-methyl-2-phenyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 3298213
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
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(3R,3aR,7aS)-2-benzyl-3-(3-methylphenyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one
CID 16060139

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-1-benzyl-4-[dimethyl(phenyl)silyl]-5-propan-2-ylpyrrolidin-2-one?
The IUPAC name of (4R,5R)-1-benzyl-4-[dimethyl(phenyl)silyl]-5-propan-2-ylpyrrolidin-2-one (CID 134945483) is (4R,5R)-1-benzyl-4-[dimethyl(phenyl)silyl]-5-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for (4R,5R)-1-benzyl-4-[dimethyl(phenyl)silyl]-5-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for (4R,5R)-1-benzyl-4-[dimethyl(phenyl)silyl]-5-propan-2-ylpyrrolidin-2-one is CC(C)[C@@H]1[C@H]([Si](C)(C)c2ccccc2)CC(=O)N1Cc1ccccc1.
What is the InChIKey of (4R,5R)-1-benzyl-4-[dimethyl(phenyl)silyl]-5-propan-2-ylpyrrolidin-2-one?
The InChIKey is OPLHVRMPAIOAIS-IFMALSPDSA-N. The full InChI is InChI=1S/C22H29NOSi/c1-17(2)22-20(25(3,4)19-13-9-6-10-14-19)15-21(24)23(22)16-18-11-7-5-8-12-18/h5-14,17,20,22H,15-16H2,1-4H3/t20-,22-/m1/s1.
What are the key properties of (4R,5R)-1-benzyl-4-[dimethyl(phenyl)silyl]-5-propan-2-ylpyrrolidin-2-one?
(4R,5R)-1-benzyl-4-[dimethyl(phenyl)silyl]-5-propan-2-ylpyrrolidin-2-one has a molecular weight of 351.57 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-1-benzyl-4-[dimethyl(phenyl)silyl]-5-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 134945483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).