(3S,5R)-1-acetyl-5-ethenyl-3-[(E)-3-triphenylsilylprop-1-enyl]pyrrolidin-2-one

C29H29NO2Si — CID 101232489

IUPAC(3S,5R)-1-acetyl-5-ethenyl-3-[(E)-3-triphenylsilylprop-1-enyl]pyrrolidin-2-one
SMILESC=C[C@H]1C[C@@H](/C=C/C[Si](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)N1C(C)=O
InChIInChI=1S/C29H29NO2Si/c1-3-25-22-24(29(32)30(25)23(2)31)14-13-21-33(26-15-7-4-8-16-26,27-17-9-5-10-18-27)28-19-11-6-12-20-28/h3-20,24-25H,1,21-22H2,2H3/b14-13+/t24-,25+/m1/s1
InChIKeySZAKQPIRZHIOGA-LWRXKINPSA-N
MW451.64 g/mol
LogP3.66
Rot. Bonds7

About (3S,5R)-1-acetyl-5-ethenyl-3-[(E)-3-triphenylsilylprop-1-enyl]pyrrolidin-2-one

(3S,5R)-1-acetyl-5-ethenyl-3-[(E)-3-triphenylsilylprop-1-enyl]pyrrolidin-2-one (PubChem CID 101232489) has the molecular formula C29H29NO2Si and a molecular weight of 451.64 g/mol. Its IUPAC name is (3S,5R)-1-acetyl-5-ethenyl-3-[(E)-3-triphenylsilylprop-1-enyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S,5R)-1-acetyl-5-ethenyl-3-[(E)-3-triphenylsilylprop-1-enyl]pyrrolidin-2-one
PubChem CID101232489
Molecular FormulaC29H29NO2Si
Molecular Weight451.64 g/mol
Exact Mass451.20
IUPAC Name(3S,5R)-1-acetyl-5-ethenyl-3-[(E)-3-triphenylsilylprop-1-enyl]pyrrolidin-2-one
SMILESC=C[C@H]1C[C@@H](/C=C/C[Si](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)N1C(C)=O
InChIInChI=1S/C29H29NO2Si/c1-3-25-22-24(29(32)30(25)23(2)31)14-13-21-33(26-15-7-4-8-16-26,27-17-9-5-10-18-27)28-19-11-6-12-20-28/h3-20,24-25H,1,21-22H2,2H3/b14-13+/t24-,25+/m1/s1
InChIKeySZAKQPIRZHIOGA-LWRXKINPSA-N
XLogP3.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.64
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-1-acetyl-5-ethenyl-3-[(E)-3-triphenylsilylprop-1-enyl]pyrrolidin-2-one?
The IUPAC name of (3S,5R)-1-acetyl-5-ethenyl-3-[(E)-3-triphenylsilylprop-1-enyl]pyrrolidin-2-one (CID 101232489) is (3S,5R)-1-acetyl-5-ethenyl-3-[(E)-3-triphenylsilylprop-1-enyl]pyrrolidin-2-one.
What is the SMILES notation for (3S,5R)-1-acetyl-5-ethenyl-3-[(E)-3-triphenylsilylprop-1-enyl]pyrrolidin-2-one?
The canonical SMILES for (3S,5R)-1-acetyl-5-ethenyl-3-[(E)-3-triphenylsilylprop-1-enyl]pyrrolidin-2-one is C=C[C@H]1C[C@@H](/C=C/C[Si](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)N1C(C)=O.
What is the InChIKey of (3S,5R)-1-acetyl-5-ethenyl-3-[(E)-3-triphenylsilylprop-1-enyl]pyrrolidin-2-one?
The InChIKey is SZAKQPIRZHIOGA-LWRXKINPSA-N. The full InChI is InChI=1S/C29H29NO2Si/c1-3-25-22-24(29(32)30(25)23(2)31)14-13-21-33(26-15-7-4-8-16-26,27-17-9-5-10-18-27)28-19-11-6-12-20-28/h3-20,24-25H,1,21-22H2,2H3/b14-13+/t24-,25+/m1/s1.
What are the key properties of (3S,5R)-1-acetyl-5-ethenyl-3-[(E)-3-triphenylsilylprop-1-enyl]pyrrolidin-2-one?
(3S,5R)-1-acetyl-5-ethenyl-3-[(E)-3-triphenylsilylprop-1-enyl]pyrrolidin-2-one has a molecular weight of 451.64 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-1-acetyl-5-ethenyl-3-[(E)-3-triphenylsilylprop-1-enyl]pyrrolidin-2-one is sourced from PubChem (CID 101232489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).