1-benzyl-5-(3-trimethylsilylprop-2-ynyl)pyrrolidin-2-one

C17H23NOSi — CID 15486534

IUPAC1-benzyl-5-(3-trimethylsilylprop-2-ynyl)pyrrolidin-2-one
SMILESC[Si](C)(C)C#CCC1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C17H23NOSi/c1-20(2,3)13-7-10-16-11-12-17(19)18(16)14-15-8-5-4-6-9-15/h4-6,8-9,16H,10-12,14H2,1-3H3
InChIKeyUMYGTHMYHNKJKQ-UHFFFAOYSA-N
MW285.46 g/mol
LogP3.45
Rot. Bonds3

About 1-benzyl-5-(3-trimethylsilylprop-2-ynyl)pyrrolidin-2-one

1-benzyl-5-(3-trimethylsilylprop-2-ynyl)pyrrolidin-2-one (PubChem CID 15486534) has the molecular formula C17H23NOSi and a molecular weight of 285.46 g/mol. Its IUPAC name is 1-benzyl-5-(3-trimethylsilylprop-2-ynyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-5-(3-trimethylsilylprop-2-ynyl)pyrrolidin-2-one
PubChem CID15486534
Molecular FormulaC17H23NOSi
Molecular Weight285.46 g/mol
Exact Mass285.15
IUPAC Name1-benzyl-5-(3-trimethylsilylprop-2-ynyl)pyrrolidin-2-one
SMILESC[Si](C)(C)C#CCC1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C17H23NOSi/c1-20(2,3)13-7-10-16-11-12-17(19)18(16)14-15-8-5-4-6-9-15/h4-6,8-9,16H,10-12,14H2,1-3H3
InChIKeyUMYGTHMYHNKJKQ-UHFFFAOYSA-N
XLogP3.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-benzyl-5-(3-trimethylsilylprop-2-ynyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-1-benzyl-5-(hydroxymethyl)pyrrolidin-2-one
CID 10442943
1-benzyl-5-[(dimethylamino)methyl]pyrrolidin-2-one
CID 14129470
1-benzyl-5-(ethylsulfonylmethyl)pyrrolidin-2-one
CID 102568332
1-benzyl-5-(methylsulfonylmethyl)pyrrolidin-2-one
CID 102568331
5-(2-aminoethyl)-1-benzylpyrrolidin-2-one
CID 53415041
1-benzyl-5-(2-hydroxyethyl)pyrrolidin-2-one
CID 115031392
1-benzyl-5-heptylpyrrolidin-2-one
CID 71330928
1-benzyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one
CID 59318444
CID 169193090
CID 169193090
1-benzyl-5-[2-(1,3-dioxan-2-yl)ethyl]pyrrolidin-2-one
CID 14762611
(5S)-1-benzyl-5-tert-butylpyrrolidin-2-one
CID 141337970
(5S)-1-benzyl-5-[(2R)-oxiran-2-yl]pyrrolidin-2-one
CID 18641408

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(3-trimethylsilylprop-2-ynyl)pyrrolidin-2-one?
The IUPAC name of 1-benzyl-5-(3-trimethylsilylprop-2-ynyl)pyrrolidin-2-one (CID 15486534) is 1-benzyl-5-(3-trimethylsilylprop-2-ynyl)pyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-5-(3-trimethylsilylprop-2-ynyl)pyrrolidin-2-one?
The canonical SMILES for 1-benzyl-5-(3-trimethylsilylprop-2-ynyl)pyrrolidin-2-one is C[Si](C)(C)C#CCC1CCC(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-(3-trimethylsilylprop-2-ynyl)pyrrolidin-2-one?
The InChIKey is UMYGTHMYHNKJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOSi/c1-20(2,3)13-7-10-16-11-12-17(19)18(16)14-15-8-5-4-6-9-15/h4-6,8-9,16H,10-12,14H2,1-3H3.
What are the key properties of 1-benzyl-5-(3-trimethylsilylprop-2-ynyl)pyrrolidin-2-one?
1-benzyl-5-(3-trimethylsilylprop-2-ynyl)pyrrolidin-2-one has a molecular weight of 285.46 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(3-trimethylsilylprop-2-ynyl)pyrrolidin-2-one is sourced from PubChem (CID 15486534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).