5-acetyl-4-(4-bromophenyl)-6-methyl-3,4-dihydro-1H-pyridin-2-one

C14H14BrNO2 — CID 4317096

IUPAC5-acetyl-4-(4-bromophenyl)-6-methyl-3,4-dihydro-1H-pyridin-2-one
SMILESCC(=O)C1=C(C)NC(=O)CC1c1ccc(Br)cc1
InChIInChI=1S/C14H14BrNO2/c1-8-14(9(2)17)12(7-13(18)16-8)10-3-5-11(15)6-4-10/h3-6,12H,7H2,1-2H3,(H,16,18)
InChIKeyORKYKERCMQZUBV-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.92
Rot. Bonds2

About 5-acetyl-4-(4-bromophenyl)-6-methyl-3,4-dihydro-1H-pyridin-2-one

5-acetyl-4-(4-bromophenyl)-6-methyl-3,4-dihydro-1H-pyridin-2-one (PubChem CID 4317096) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is 5-acetyl-4-(4-bromophenyl)-6-methyl-3,4-dihydro-1H-pyridin-2-one.

Molecular Properties

Compound Name5-acetyl-4-(4-bromophenyl)-6-methyl-3,4-dihydro-1H-pyridin-2-one
PubChem CID4317096
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC Name5-acetyl-4-(4-bromophenyl)-6-methyl-3,4-dihydro-1H-pyridin-2-one
SMILESCC(=O)C1=C(C)NC(=O)CC1c1ccc(Br)cc1
InChIInChI=1S/C14H14BrNO2/c1-8-14(9(2)17)12(7-13(18)16-8)10-3-5-11(15)6-4-10/h3-6,12H,7H2,1-2H3,(H,16,18)
InChIKeyORKYKERCMQZUBV-UHFFFAOYSA-N
XLogP2.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-(4-bromophenyl)-6-methyl-3,4-dihydro-1H-pyridin-2-one?
The IUPAC name of 5-acetyl-4-(4-bromophenyl)-6-methyl-3,4-dihydro-1H-pyridin-2-one (CID 4317096) is 5-acetyl-4-(4-bromophenyl)-6-methyl-3,4-dihydro-1H-pyridin-2-one.
What is the SMILES notation for 5-acetyl-4-(4-bromophenyl)-6-methyl-3,4-dihydro-1H-pyridin-2-one?
The canonical SMILES for 5-acetyl-4-(4-bromophenyl)-6-methyl-3,4-dihydro-1H-pyridin-2-one is CC(=O)C1=C(C)NC(=O)CC1c1ccc(Br)cc1.
What is the InChIKey of 5-acetyl-4-(4-bromophenyl)-6-methyl-3,4-dihydro-1H-pyridin-2-one?
The InChIKey is ORKYKERCMQZUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-8-14(9(2)17)12(7-13(18)16-8)10-3-5-11(15)6-4-10/h3-6,12H,7H2,1-2H3,(H,16,18).
What are the key properties of 5-acetyl-4-(4-bromophenyl)-6-methyl-3,4-dihydro-1H-pyridin-2-one?
5-acetyl-4-(4-bromophenyl)-6-methyl-3,4-dihydro-1H-pyridin-2-one has a molecular weight of 308.18 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-(4-bromophenyl)-6-methyl-3,4-dihydro-1H-pyridin-2-one is sourced from PubChem (CID 4317096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).