1-[3-ethenyl-4-[(E)-3-trimethylsilylprop-1-enyl]-2,5-dihydropyrrol-1-yl]ethanone

C14H23NOSi — CID 11139535

IUPAC1-[3-ethenyl-4-[(E)-3-trimethylsilylprop-1-enyl]-2,5-dihydropyrrol-1-yl]ethanone
SMILESC=CC1=C(/C=C/C[Si](C)(C)C)CN(C(C)=O)C1
InChIInChI=1S/C14H23NOSi/c1-6-13-10-15(12(2)16)11-14(13)8-7-9-17(3,4)5/h6-8H,1,9-11H2,2-5H3/b8-7+
InChIKeyVFMIJYNRMGULTO-BQYQJAHWSA-N
MW249.43 g/mol
LogP3.23
Rot. Bonds4

About 1-[3-ethenyl-4-[(E)-3-trimethylsilylprop-1-enyl]-2,5-dihydropyrrol-1-yl]ethanone

1-[3-ethenyl-4-[(E)-3-trimethylsilylprop-1-enyl]-2,5-dihydropyrrol-1-yl]ethanone (PubChem CID 11139535) has the molecular formula C14H23NOSi and a molecular weight of 249.43 g/mol. Its IUPAC name is 1-[3-ethenyl-4-[(E)-3-trimethylsilylprop-1-enyl]-2,5-dihydropyrrol-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-ethenyl-4-[(E)-3-trimethylsilylprop-1-enyl]-2,5-dihydropyrrol-1-yl]ethanone
PubChem CID11139535
Molecular FormulaC14H23NOSi
Molecular Weight249.43 g/mol
Exact Mass249.15
IUPAC Name1-[3-ethenyl-4-[(E)-3-trimethylsilylprop-1-enyl]-2,5-dihydropyrrol-1-yl]ethanone
SMILESC=CC1=C(/C=C/C[Si](C)(C)C)CN(C(C)=O)C1
InChIInChI=1S/C14H23NOSi/c1-6-13-10-15(12(2)16)11-14(13)8-7-9-17(3,4)5/h6-8H,1,9-11H2,2-5H3/b8-7+
InChIKeyVFMIJYNRMGULTO-BQYQJAHWSA-N
XLogP3.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.43
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-ethenyl-4-[(E)-3-trimethylsilylprop-1-enyl]-2,5-dihydropyrrol-1-yl]ethanone?
The IUPAC name of 1-[3-ethenyl-4-[(E)-3-trimethylsilylprop-1-enyl]-2,5-dihydropyrrol-1-yl]ethanone (CID 11139535) is 1-[3-ethenyl-4-[(E)-3-trimethylsilylprop-1-enyl]-2,5-dihydropyrrol-1-yl]ethanone.
What is the SMILES notation for 1-[3-ethenyl-4-[(E)-3-trimethylsilylprop-1-enyl]-2,5-dihydropyrrol-1-yl]ethanone?
The canonical SMILES for 1-[3-ethenyl-4-[(E)-3-trimethylsilylprop-1-enyl]-2,5-dihydropyrrol-1-yl]ethanone is C=CC1=C(/C=C/C[Si](C)(C)C)CN(C(C)=O)C1.
What is the InChIKey of 1-[3-ethenyl-4-[(E)-3-trimethylsilylprop-1-enyl]-2,5-dihydropyrrol-1-yl]ethanone?
The InChIKey is VFMIJYNRMGULTO-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H23NOSi/c1-6-13-10-15(12(2)16)11-14(13)8-7-9-17(3,4)5/h6-8H,1,9-11H2,2-5H3/b8-7+.
What are the key properties of 1-[3-ethenyl-4-[(E)-3-trimethylsilylprop-1-enyl]-2,5-dihydropyrrol-1-yl]ethanone?
1-[3-ethenyl-4-[(E)-3-trimethylsilylprop-1-enyl]-2,5-dihydropyrrol-1-yl]ethanone has a molecular weight of 249.43 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethenyl-4-[(E)-3-trimethylsilylprop-1-enyl]-2,5-dihydropyrrol-1-yl]ethanone is sourced from PubChem (CID 11139535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).