1-acetyl-3-[ethyl(dimethyl)silyl]-6-methyl-2,3-dihydropyridin-4-one

C12H21NO2Si — CID 18711301

IUPAC1-acetyl-3-[ethyl(dimethyl)silyl]-6-methyl-2,3-dihydropyridin-4-one
SMILESCC[Si](C)(C)C1CN(C(C)=O)C(C)=CC1=O
InChIInChI=1S/C12H21NO2Si/c1-6-16(4,5)12-8-13(10(3)14)9(2)7-11(12)15/h7,12H,6,8H2,1-5H3
InChIKeyAUQAWEHMSOAUQX-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.42
Rot. Bonds2

About 1-acetyl-3-[ethyl(dimethyl)silyl]-6-methyl-2,3-dihydropyridin-4-one

1-acetyl-3-[ethyl(dimethyl)silyl]-6-methyl-2,3-dihydropyridin-4-one (PubChem CID 18711301) has the molecular formula C12H21NO2Si and a molecular weight of 239.39 g/mol. Its IUPAC name is 1-acetyl-3-[ethyl(dimethyl)silyl]-6-methyl-2,3-dihydropyridin-4-one.

Molecular Properties

Compound Name1-acetyl-3-[ethyl(dimethyl)silyl]-6-methyl-2,3-dihydropyridin-4-one
PubChem CID18711301
Molecular FormulaC12H21NO2Si
Molecular Weight239.39 g/mol
Exact Mass239.13
IUPAC Name1-acetyl-3-[ethyl(dimethyl)silyl]-6-methyl-2,3-dihydropyridin-4-one
SMILESCC[Si](C)(C)C1CN(C(C)=O)C(C)=CC1=O
InChIInChI=1S/C12H21NO2Si/c1-6-16(4,5)12-8-13(10(3)14)9(2)7-11(12)15/h7,12H,6,8H2,1-5H3
InChIKeyAUQAWEHMSOAUQX-UHFFFAOYSA-N
XLogP2.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-acetyl-3-[ethyl(dimethyl)silyl]-6-methyl-2,3-dihydropyridin-4-one?
The IUPAC name of 1-acetyl-3-[ethyl(dimethyl)silyl]-6-methyl-2,3-dihydropyridin-4-one (CID 18711301) is 1-acetyl-3-[ethyl(dimethyl)silyl]-6-methyl-2,3-dihydropyridin-4-one.
What is the SMILES notation for 1-acetyl-3-[ethyl(dimethyl)silyl]-6-methyl-2,3-dihydropyridin-4-one?
The canonical SMILES for 1-acetyl-3-[ethyl(dimethyl)silyl]-6-methyl-2,3-dihydropyridin-4-one is CC[Si](C)(C)C1CN(C(C)=O)C(C)=CC1=O.
What is the InChIKey of 1-acetyl-3-[ethyl(dimethyl)silyl]-6-methyl-2,3-dihydropyridin-4-one?
The InChIKey is AUQAWEHMSOAUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2Si/c1-6-16(4,5)12-8-13(10(3)14)9(2)7-11(12)15/h7,12H,6,8H2,1-5H3.
What are the key properties of 1-acetyl-3-[ethyl(dimethyl)silyl]-6-methyl-2,3-dihydropyridin-4-one?
1-acetyl-3-[ethyl(dimethyl)silyl]-6-methyl-2,3-dihydropyridin-4-one has a molecular weight of 239.39 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-3-[ethyl(dimethyl)silyl]-6-methyl-2,3-dihydropyridin-4-one is sourced from PubChem (CID 18711301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).