1-[3,3-dimethyl-4-oxo-7-(2-trimethylsilylethynyl)naphthalen-1-yl]pyridin-2-one

C22H23NO2Si — CID 14957730

IUPAC1-[3,3-dimethyl-4-oxo-7-(2-trimethylsilylethynyl)naphthalen-1-yl]pyridin-2-one
SMILESCC1(C)C=C(n2ccccc2=O)c2cc(C#C[Si](C)(C)C)ccc2C1=O
InChIInChI=1S/C22H23NO2Si/c1-22(2)15-19(23-12-7-6-8-20(23)24)18-14-16(11-13-26(3,4)5)9-10-17(18)21(22)25/h6-10,12,14-15H,1-5H3
InChIKeyDDZWRDIJJCBVIF-UHFFFAOYSA-N
MW361.52 g/mol
LogP4.19
Rot. Bonds1

About 1-[3,3-dimethyl-4-oxo-7-(2-trimethylsilylethynyl)naphthalen-1-yl]pyridin-2-one

1-[3,3-dimethyl-4-oxo-7-(2-trimethylsilylethynyl)naphthalen-1-yl]pyridin-2-one (PubChem CID 14957730) has the molecular formula C22H23NO2Si and a molecular weight of 361.52 g/mol. Its IUPAC name is 1-[3,3-dimethyl-4-oxo-7-(2-trimethylsilylethynyl)naphthalen-1-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[3,3-dimethyl-4-oxo-7-(2-trimethylsilylethynyl)naphthalen-1-yl]pyridin-2-one
PubChem CID14957730
Molecular FormulaC22H23NO2Si
Molecular Weight361.52 g/mol
Exact Mass361.15
IUPAC Name1-[3,3-dimethyl-4-oxo-7-(2-trimethylsilylethynyl)naphthalen-1-yl]pyridin-2-one
SMILESCC1(C)C=C(n2ccccc2=O)c2cc(C#C[Si](C)(C)C)ccc2C1=O
InChIInChI=1S/C22H23NO2Si/c1-22(2)15-19(23-12-7-6-8-20(23)24)18-14-16(11-13-26(3,4)5)9-10-17(18)21(22)25/h6-10,12,14-15H,1-5H3
InChIKeyDDZWRDIJJCBVIF-UHFFFAOYSA-N
XLogP4.19
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.52
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

UR 8225
CID 198778
1-[[3,4-Dihydro-4-oxo-3,3-dimethyl-7-(trifluoromethyl)naphthalen]-1-yl]pyridin-2(1H)-one
CID 14957725
1,2-Dihydro-4-(1,2-dihydro-2-oxo-1-pyridyl)-2,2-dimethyl-6-ethynylnaphthalen-1-one
CID 14957731
1-(7-Acetyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one
CID 14957734
6,6-Dimethyl-5-oxo-8-(2-oxopyrrolidin-1-yl)naphthalene-2-carbonitrile
CID 14957744
1-(7-Fluoro-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one
CID 14957722
1,2-Dihydro-4-(1,2-dihydro-2-oxo-1-pyridyl)-2,2-dimethyl-6-ethylnaphthalen-1-one
CID 14957732
6,6-Diethyl-5-oxo-8-(2-oxo-1-pyridinyl)naphthalene-2-carbonitrile
CID 14957796
1-(7-Ethenyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one
CID 14957733
1-[[3,4-Dihydro-4-oxo-3,3-dimethyl-7-(pentafluoroethyl)naphthalen]-1-yl]pyridin-2(1H)-one
CID 14957726
6,6-Dimethyl-5-oxo-8-(2-oxo-1-pyridinyl)naphthalene-2-carboxamide
CID 14957738
1-(3,3-Dimethyl-4-oxonaphthalen-1-yl)pyrrolidin-2-one
CID 14957740

Frequently Asked Questions

What is the IUPAC name of 1-[3,3-dimethyl-4-oxo-7-(2-trimethylsilylethynyl)naphthalen-1-yl]pyridin-2-one?
The IUPAC name of 1-[3,3-dimethyl-4-oxo-7-(2-trimethylsilylethynyl)naphthalen-1-yl]pyridin-2-one (CID 14957730) is 1-[3,3-dimethyl-4-oxo-7-(2-trimethylsilylethynyl)naphthalen-1-yl]pyridin-2-one.
What is the SMILES notation for 1-[3,3-dimethyl-4-oxo-7-(2-trimethylsilylethynyl)naphthalen-1-yl]pyridin-2-one?
The canonical SMILES for 1-[3,3-dimethyl-4-oxo-7-(2-trimethylsilylethynyl)naphthalen-1-yl]pyridin-2-one is CC1(C)C=C(n2ccccc2=O)c2cc(C#C[Si](C)(C)C)ccc2C1=O.
What is the InChIKey of 1-[3,3-dimethyl-4-oxo-7-(2-trimethylsilylethynyl)naphthalen-1-yl]pyridin-2-one?
The InChIKey is DDZWRDIJJCBVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2Si/c1-22(2)15-19(23-12-7-6-8-20(23)24)18-14-16(11-13-26(3,4)5)9-10-17(18)21(22)25/h6-10,12,14-15H,1-5H3.
What are the key properties of 1-[3,3-dimethyl-4-oxo-7-(2-trimethylsilylethynyl)naphthalen-1-yl]pyridin-2-one?
1-[3,3-dimethyl-4-oxo-7-(2-trimethylsilylethynyl)naphthalen-1-yl]pyridin-2-one has a molecular weight of 361.52 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,3-dimethyl-4-oxo-7-(2-trimethylsilylethynyl)naphthalen-1-yl]pyridin-2-one is sourced from PubChem (CID 14957730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).