1-[4-[benzyl(dimethyl)silyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone

C16H23NOSi — CID 59628494

IUPAC1-[4-[benzyl(dimethyl)silyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1CC=C([Si](C)(C)Cc2ccccc2)CC1
InChIInChI=1S/C16H23NOSi/c1-14(18)17-11-9-16(10-12-17)19(2,3)13-15-7-5-4-6-8-15/h4-9H,10-13H2,1-3H3
InChIKeyXDDWQZXXTJBVHI-UHFFFAOYSA-N
MW273.45 g/mol
LogP3.19
Rot. Bonds3

About 1-[4-[benzyl(dimethyl)silyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone

1-[4-[benzyl(dimethyl)silyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 59628494) has the molecular formula C16H23NOSi and a molecular weight of 273.45 g/mol. Its IUPAC name is 1-[4-[benzyl(dimethyl)silyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[benzyl(dimethyl)silyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID59628494
Molecular FormulaC16H23NOSi
Molecular Weight273.45 g/mol
Exact Mass273.15
IUPAC Name1-[4-[benzyl(dimethyl)silyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1CC=C([Si](C)(C)Cc2ccccc2)CC1
InChIInChI=1S/C16H23NOSi/c1-14(18)17-11-9-16(10-12-17)19(2,3)13-15-7-5-4-6-8-15/h4-9H,10-13H2,1-3H3
InChIKeyXDDWQZXXTJBVHI-UHFFFAOYSA-N
XLogP3.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.45
LogP ≤ 53.19
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-[4-[benzyl(dimethyl)silyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 1-[4-[benzyl(dimethyl)silyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 59628494) is 1-[4-[benzyl(dimethyl)silyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[benzyl(dimethyl)silyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 1-[4-[benzyl(dimethyl)silyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone is CC(=O)N1CC=C([Si](C)(C)Cc2ccccc2)CC1.
What is the InChIKey of 1-[4-[benzyl(dimethyl)silyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is XDDWQZXXTJBVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOSi/c1-14(18)17-11-9-16(10-12-17)19(2,3)13-15-7-5-4-6-8-15/h4-9H,10-13H2,1-3H3.
What are the key properties of 1-[4-[benzyl(dimethyl)silyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
1-[4-[benzyl(dimethyl)silyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 273.45 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[benzyl(dimethyl)silyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 59628494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).