3-[(E)-3-cyclohexylprop-2-enoyl]-1,4,6-trimethylpyridin-2-one

C17H23NO2 — CID 58710147

IUPAC3-[(E)-3-cyclohexylprop-2-enoyl]-1,4,6-trimethylpyridin-2-one
SMILESCc1cc(C)n(C)c(=O)c1C(=O)/C=C/C1CCCCC1
InChIInChI=1S/C17H23NO2/c1-12-11-13(2)18(3)17(20)16(12)15(19)10-9-14-7-5-4-6-8-14/h9-11,14H,4-8H2,1-3H3/b10-9+
InChIKeyDYGDLOLFDWXIOQ-MDZDMXLPSA-N
MW273.38 g/mol
LogP3.32
Rot. Bonds3

About 3-[(E)-3-cyclohexylprop-2-enoyl]-1,4,6-trimethylpyridin-2-one

3-[(E)-3-cyclohexylprop-2-enoyl]-1,4,6-trimethylpyridin-2-one (PubChem CID 58710147) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[(E)-3-cyclohexylprop-2-enoyl]-1,4,6-trimethylpyridin-2-one.

Molecular Properties

Compound Name3-[(E)-3-cyclohexylprop-2-enoyl]-1,4,6-trimethylpyridin-2-one
PubChem CID58710147
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name3-[(E)-3-cyclohexylprop-2-enoyl]-1,4,6-trimethylpyridin-2-one
SMILESCc1cc(C)n(C)c(=O)c1C(=O)/C=C/C1CCCCC1
InChIInChI=1S/C17H23NO2/c1-12-11-13(2)18(3)17(20)16(12)15(19)10-9-14-7-5-4-6-8-14/h9-11,14H,4-8H2,1-3H3/b10-9+
InChIKeyDYGDLOLFDWXIOQ-MDZDMXLPSA-N
XLogP3.32
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[(3,3-Difluorocyclohexyl)methyl]-3,7-dimethyl-3,7-dihydroindole-2,6-dione
CID 150079195
4-Acetyl-1,2-dimethyl-7-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-3-one
CID 20655794
1-Cyclohexyl-3-(3-methylbutanoyl)pyridin-2-one
CID 58170164
1-Cyclohexyl-3-(3,3-dimethylbutanoyl)pyridin-2-one
CID 58286885
CID 58710106
CID 58710106
5-[(E)-3-cyclohexylprop-2-enoyl]-1,3,4-trimethyl-2H-pyridin-2-id-6-one;lanthanum
CID 58710113
3-[(E)-3-cyclohexylprop-2-enoyl]-4,5,6-trimethylpyridin-1-id-2-one;tantalum
CID 58710132
3-[(E)-3-cyclohexylprop-2-enoyl]-1,4,5,6-tetramethylpyridin-2-one
CID 58710135
5-[(E)-3-cyclohexylprop-2-enoyl]-3,4-dimethyl-2H-pyridine-1,2-diid-6-one;lanthanum;tantalum
CID 58710140
CID 58710143
CID 58710143
CID 58710157
CID 58710157
3-[(E)-3-cyclopenta-1,3-dien-1-ylprop-2-enoyl]-1,4,6-trimethylpyridin-2-one
CID 59268173

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-cyclohexylprop-2-enoyl]-1,4,6-trimethylpyridin-2-one?
The IUPAC name of 3-[(E)-3-cyclohexylprop-2-enoyl]-1,4,6-trimethylpyridin-2-one (CID 58710147) is 3-[(E)-3-cyclohexylprop-2-enoyl]-1,4,6-trimethylpyridin-2-one.
What is the SMILES notation for 3-[(E)-3-cyclohexylprop-2-enoyl]-1,4,6-trimethylpyridin-2-one?
The canonical SMILES for 3-[(E)-3-cyclohexylprop-2-enoyl]-1,4,6-trimethylpyridin-2-one is Cc1cc(C)n(C)c(=O)c1C(=O)/C=C/C1CCCCC1.
What is the InChIKey of 3-[(E)-3-cyclohexylprop-2-enoyl]-1,4,6-trimethylpyridin-2-one?
The InChIKey is DYGDLOLFDWXIOQ-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H23NO2/c1-12-11-13(2)18(3)17(20)16(12)15(19)10-9-14-7-5-4-6-8-14/h9-11,14H,4-8H2,1-3H3/b10-9+.
What are the key properties of 3-[(E)-3-cyclohexylprop-2-enoyl]-1,4,6-trimethylpyridin-2-one?
3-[(E)-3-cyclohexylprop-2-enoyl]-1,4,6-trimethylpyridin-2-one has a molecular weight of 273.38 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-cyclohexylprop-2-enoyl]-1,4,6-trimethylpyridin-2-one is sourced from PubChem (CID 58710147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).