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

C14H14ClNO2 — CID 3760084

IUPAC5-acetyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyridin-2-one
SMILESCC(=O)C1=C(C)NC(=O)CC1c1ccccc1Cl
InChIInChI=1S/C14H14ClNO2/c1-8-14(9(2)17)11(7-13(18)16-8)10-5-3-4-6-12(10)15/h3-6,11H,7H2,1-2H3,(H,16,18)
InChIKeyCYEJCMAAAMMALG-UHFFFAOYSA-N
MW263.72 g/mol
LogP2.81
Rot. Bonds2

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

5-acetyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyridin-2-one (PubChem CID 3760084) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is 5-acetyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyridin-2-one.

Molecular Properties

Compound Name5-acetyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyridin-2-one
PubChem CID3760084
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Name5-acetyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyridin-2-one
SMILESCC(=O)C1=C(C)NC(=O)CC1c1ccccc1Cl
InChIInChI=1S/C14H14ClNO2/c1-8-14(9(2)17)11(7-13(18)16-8)10-5-3-4-6-12(10)15/h3-6,11H,7H2,1-2H3,(H,16,18)
InChIKeyCYEJCMAAAMMALG-UHFFFAOYSA-N
XLogP2.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyridin-2-one?
The IUPAC name of 5-acetyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyridin-2-one (CID 3760084) is 5-acetyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyridin-2-one.
What is the SMILES notation for 5-acetyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyridin-2-one?
The canonical SMILES for 5-acetyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyridin-2-one is CC(=O)C1=C(C)NC(=O)CC1c1ccccc1Cl.
What is the InChIKey of 5-acetyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyridin-2-one?
The InChIKey is CYEJCMAAAMMALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c1-8-14(9(2)17)11(7-13(18)16-8)10-5-3-4-6-12(10)15/h3-6,11H,7H2,1-2H3,(H,16,18).
What are the key properties of 5-acetyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyridin-2-one?
5-acetyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyridin-2-one has a molecular weight of 263.72 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyridin-2-one is sourced from PubChem (CID 3760084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).