(3R,5S)-3-ethenyl-1-prop-2-enoyl-5-[(E)-3-trimethylsilylprop-1-enyl]pyrrolidin-2-one

C15H23NO2Si — CID 102474513

IUPAC(3R,5S)-3-ethenyl-1-prop-2-enoyl-5-[(E)-3-trimethylsilylprop-1-enyl]pyrrolidin-2-one
SMILESC=CC(=O)N1C(=O)[C@@H](C=C)C[C@H]1/C=C/C[Si](C)(C)C
InChIInChI=1S/C15H23NO2Si/c1-6-12-11-13(9-8-10-19(3,4)5)16(15(12)18)14(17)7-2/h6-9,12-13H,1-2,10-11H2,3-5H3/b9-8+/t12-,13+/m0/s1
InChIKeyRJXSRBRDUCNHBD-AYSSICMYSA-N
MW277.44 g/mol
LogP3.00
Rot. Bonds5

About (3R,5S)-3-ethenyl-1-prop-2-enoyl-5-[(E)-3-trimethylsilylprop-1-enyl]pyrrolidin-2-one

(3R,5S)-3-ethenyl-1-prop-2-enoyl-5-[(E)-3-trimethylsilylprop-1-enyl]pyrrolidin-2-one (PubChem CID 102474513) has the molecular formula C15H23NO2Si and a molecular weight of 277.44 g/mol. Its IUPAC name is (3R,5S)-3-ethenyl-1-prop-2-enoyl-5-[(E)-3-trimethylsilylprop-1-enyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R,5S)-3-ethenyl-1-prop-2-enoyl-5-[(E)-3-trimethylsilylprop-1-enyl]pyrrolidin-2-one
PubChem CID102474513
Molecular FormulaC15H23NO2Si
Molecular Weight277.44 g/mol
Exact Mass277.15
IUPAC Name(3R,5S)-3-ethenyl-1-prop-2-enoyl-5-[(E)-3-trimethylsilylprop-1-enyl]pyrrolidin-2-one
SMILESC=CC(=O)N1C(=O)[C@@H](C=C)C[C@H]1/C=C/C[Si](C)(C)C
InChIInChI=1S/C15H23NO2Si/c1-6-12-11-13(9-8-10-19(3,4)5)16(15(12)18)14(17)7-2/h6-9,12-13H,1-2,10-11H2,3-5H3/b9-8+/t12-,13+/m0/s1
InChIKeyRJXSRBRDUCNHBD-AYSSICMYSA-N
XLogP3.00
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 53.00
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-Acetyl-2-azabicyclo[2.2.1]hept-5-en-3-one
CID 11355578
tert-butyl (3R,5S)-5-ethenyl-2-oxo-3-[(E)-3-trimethylsilylprop-1-enyl]pyrrolidine-1-carboxylate
CID 15507039
cis-2-Acetyl-2-azabicyclo[2.2.1]hept-5-en-3-one
CID 11378591
2-Butanoyl-2-azabicyclo[2.2.1]hept-5-EN-3-one
CID 22673285
tert-butyl (3R,5S)-5-ethenyl-2-oxo-3-[(Z)-3-trimethylsilylprop-1-enyl]pyrrolidine-1-carboxylate
CID 101079226
(+/-)-2-Propionyl-2-azabicyclo[2.2.1]hept-5-en-3-one
CID 22673281
(+)-2-Isobutyryl-2-azabicyclo[2.2.1]hept-5-en-3-one
CID 22673287
(1R,4R)-2-acetyl-2-azabicyclo[2.2.1]hept-5-en-3-one
CID 45085798
(1R,4S)-2-acetyl-2-azabicyclo[2.2.1]Heptan-5-en-3-one
CID 55250602
2-Prop-2-enyl-5-triethylsilyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 67269574
5-[Tert-butyl(dimethyl)silyl]-2-prop-2-enyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 67269643
4-[Tert-butyl(dimethyl)silyl]-2-prop-2-enyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 67269940

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-3-ethenyl-1-prop-2-enoyl-5-[(E)-3-trimethylsilylprop-1-enyl]pyrrolidin-2-one?
The IUPAC name of (3R,5S)-3-ethenyl-1-prop-2-enoyl-5-[(E)-3-trimethylsilylprop-1-enyl]pyrrolidin-2-one (CID 102474513) is (3R,5S)-3-ethenyl-1-prop-2-enoyl-5-[(E)-3-trimethylsilylprop-1-enyl]pyrrolidin-2-one.
What is the SMILES notation for (3R,5S)-3-ethenyl-1-prop-2-enoyl-5-[(E)-3-trimethylsilylprop-1-enyl]pyrrolidin-2-one?
The canonical SMILES for (3R,5S)-3-ethenyl-1-prop-2-enoyl-5-[(E)-3-trimethylsilylprop-1-enyl]pyrrolidin-2-one is C=CC(=O)N1C(=O)[C@@H](C=C)C[C@H]1/C=C/C[Si](C)(C)C.
What is the InChIKey of (3R,5S)-3-ethenyl-1-prop-2-enoyl-5-[(E)-3-trimethylsilylprop-1-enyl]pyrrolidin-2-one?
The InChIKey is RJXSRBRDUCNHBD-AYSSICMYSA-N. The full InChI is InChI=1S/C15H23NO2Si/c1-6-12-11-13(9-8-10-19(3,4)5)16(15(12)18)14(17)7-2/h6-9,12-13H,1-2,10-11H2,3-5H3/b9-8+/t12-,13+/m0/s1.
What are the key properties of (3R,5S)-3-ethenyl-1-prop-2-enoyl-5-[(E)-3-trimethylsilylprop-1-enyl]pyrrolidin-2-one?
(3R,5S)-3-ethenyl-1-prop-2-enoyl-5-[(E)-3-trimethylsilylprop-1-enyl]pyrrolidin-2-one has a molecular weight of 277.44 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-3-ethenyl-1-prop-2-enoyl-5-[(E)-3-trimethylsilylprop-1-enyl]pyrrolidin-2-one is sourced from PubChem (CID 102474513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).