3-[3-(4-fluorophenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one

C17H16FNO2 — CID 2868691

IUPAC3-[3-(4-fluorophenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one
SMILESCC(=Cc1ccc(F)cc1)C(=O)c1c(C)cc(C)[nH]c1=O
InChIInChI=1S/C17H16FNO2/c1-10-8-12(3)19-17(21)15(10)16(20)11(2)9-13-4-6-14(18)7-5-13/h4-9H,1-3H3,(H,19,21)
InChIKeyGGLNZMXLOGYSFS-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.42
Rot. Bonds3

About 3-[3-(4-fluorophenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one

3-[3-(4-fluorophenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one (PubChem CID 2868691) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one
PubChem CID2868691
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name3-[3-(4-fluorophenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one
SMILESCC(=Cc1ccc(F)cc1)C(=O)c1c(C)cc(C)[nH]c1=O
InChIInChI=1S/C17H16FNO2/c1-10-8-12(3)19-17(21)15(10)16(20)11(2)9-13-4-6-14(18)7-5-13/h4-9H,1-3H3,(H,19,21)
InChIKeyGGLNZMXLOGYSFS-UHFFFAOYSA-N
XLogP3.42
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 3-[3-(4-fluorophenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one (CID 2868691) is 3-[3-(4-fluorophenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 3-[3-(4-fluorophenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one is CC(=Cc1ccc(F)cc1)C(=O)c1c(C)cc(C)[nH]c1=O.
What is the InChIKey of 3-[3-(4-fluorophenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one?
The InChIKey is GGLNZMXLOGYSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-10-8-12(3)19-17(21)15(10)16(20)11(2)9-13-4-6-14(18)7-5-13/h4-9H,1-3H3,(H,19,21).
What are the key properties of 3-[3-(4-fluorophenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one?
3-[3-(4-fluorophenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one has a molecular weight of 285.32 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 2868691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).