3-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-1H-pyridin-2-one

C16H23NOSi — CID 69052908

IUPAC3-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-1H-pyridin-2-one
SMILESCC1=C(C)C(C)C([Si](C)(C)c2ccc[nH]c2=O)=C1C
InChIInChI=1S/C16H23NOSi/c1-10-11(2)13(4)15(12(10)3)19(5,6)14-8-7-9-17-16(14)18/h7-9,12H,1-6H3,(H,17,18)
InChIKeyNYVQFMKMPQBHDG-UHFFFAOYSA-N
MW273.45 g/mol
LogP3.13
Rot. Bonds2

About 3-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-1H-pyridin-2-one

3-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-1H-pyridin-2-one (PubChem CID 69052908) has the molecular formula C16H23NOSi and a molecular weight of 273.45 g/mol. Its IUPAC name is 3-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-1H-pyridin-2-one
PubChem CID69052908
Molecular FormulaC16H23NOSi
Molecular Weight273.45 g/mol
Exact Mass273.15
IUPAC Name3-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-1H-pyridin-2-one
SMILESCC1=C(C)C(C)C([Si](C)(C)c2ccc[nH]c2=O)=C1C
InChIInChI=1S/C16H23NOSi/c1-10-11(2)13(4)15(12(10)3)19(5,6)14-8-7-9-17-16(14)18/h7-9,12H,1-6H3,(H,17,18)
InChIKeyNYVQFMKMPQBHDG-UHFFFAOYSA-N
XLogP3.13
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
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 3-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-1H-pyridin-2-one?
The IUPAC name of 3-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-1H-pyridin-2-one (CID 69052908) is 3-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-1H-pyridin-2-one is CC1=C(C)C(C)C([Si](C)(C)c2ccc[nH]c2=O)=C1C.
What is the InChIKey of 3-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-1H-pyridin-2-one?
The InChIKey is NYVQFMKMPQBHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOSi/c1-10-11(2)13(4)15(12(10)3)19(5,6)14-8-7-9-17-16(14)18/h7-9,12H,1-6H3,(H,17,18).
What are the key properties of 3-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-1H-pyridin-2-one?
3-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-1H-pyridin-2-one has a molecular weight of 273.45 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-1H-pyridin-2-one is sourced from PubChem (CID 69052908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).