3-bromo-1-ethyl-6-(2-ethylphenyl)-3,4-dihydropyridin-2-one

C15H18BrNO — CID 153450543

IUPAC3-bromo-1-ethyl-6-(2-ethylphenyl)-3,4-dihydropyridin-2-one
SMILESCCc1ccccc1C1=CCC(Br)C(=O)N1CC
InChIInChI=1S/C15H18BrNO/c1-3-11-7-5-6-8-12(11)14-10-9-13(16)15(18)17(14)4-2/h5-8,10,13H,3-4,9H2,1-2H3
InChIKeyUHVFICIHCWJAOX-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.61
Rot. Bonds3

About 3-bromo-1-ethyl-6-(2-ethylphenyl)-3,4-dihydropyridin-2-one

3-bromo-1-ethyl-6-(2-ethylphenyl)-3,4-dihydropyridin-2-one (PubChem CID 153450543) has the molecular formula C15H18BrNO and a molecular weight of 308.22 g/mol. Its IUPAC name is 3-bromo-1-ethyl-6-(2-ethylphenyl)-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-ethyl-6-(2-ethylphenyl)-3,4-dihydropyridin-2-one
PubChem CID153450543
Molecular FormulaC15H18BrNO
Molecular Weight308.22 g/mol
Exact Mass307.06
IUPAC Name3-bromo-1-ethyl-6-(2-ethylphenyl)-3,4-dihydropyridin-2-one
SMILESCCc1ccccc1C1=CCC(Br)C(=O)N1CC
InChIInChI=1S/C15H18BrNO/c1-3-11-7-5-6-8-12(11)14-10-9-13(16)15(18)17(14)4-2/h5-8,10,13H,3-4,9H2,1-2H3
InChIKeyUHVFICIHCWJAOX-UHFFFAOYSA-N
XLogP3.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-ethyl-6-(2-ethylphenyl)-3,4-dihydropyridin-2-one?
The IUPAC name of 3-bromo-1-ethyl-6-(2-ethylphenyl)-3,4-dihydropyridin-2-one (CID 153450543) is 3-bromo-1-ethyl-6-(2-ethylphenyl)-3,4-dihydropyridin-2-one.
What is the SMILES notation for 3-bromo-1-ethyl-6-(2-ethylphenyl)-3,4-dihydropyridin-2-one?
The canonical SMILES for 3-bromo-1-ethyl-6-(2-ethylphenyl)-3,4-dihydropyridin-2-one is CCc1ccccc1C1=CCC(Br)C(=O)N1CC.
What is the InChIKey of 3-bromo-1-ethyl-6-(2-ethylphenyl)-3,4-dihydropyridin-2-one?
The InChIKey is UHVFICIHCWJAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO/c1-3-11-7-5-6-8-12(11)14-10-9-13(16)15(18)17(14)4-2/h5-8,10,13H,3-4,9H2,1-2H3.
What are the key properties of 3-bromo-1-ethyl-6-(2-ethylphenyl)-3,4-dihydropyridin-2-one?
3-bromo-1-ethyl-6-(2-ethylphenyl)-3,4-dihydropyridin-2-one has a molecular weight of 308.22 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-ethyl-6-(2-ethylphenyl)-3,4-dihydropyridin-2-one is sourced from PubChem (CID 153450543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).