1-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-5-methylpyridin-2-one

C15H12ClNO2 — CID 3007390

IUPAC1-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-5-methylpyridin-2-one
SMILESC=C(C(=O)c1ccc(Cl)cc1)n1cc(C)ccc1=O
InChIInChI=1S/C15H12ClNO2/c1-10-3-8-14(18)17(9-10)11(2)15(19)12-4-6-13(16)7-5-12/h3-9H,2H2,1H3
InChIKeyJVALCGLBCXZWRW-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.16
Rot. Bonds3

About 1-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-5-methylpyridin-2-one

1-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-5-methylpyridin-2-one (PubChem CID 3007390) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-5-methylpyridin-2-one.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-5-methylpyridin-2-one
PubChem CID3007390
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC Name1-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-5-methylpyridin-2-one
SMILESC=C(C(=O)c1ccc(Cl)cc1)n1cc(C)ccc1=O
InChIInChI=1S/C15H12ClNO2/c1-10-3-8-14(18)17(9-10)11(2)15(19)12-4-6-13(16)7-5-12/h3-9H,2H2,1H3
InChIKeyJVALCGLBCXZWRW-UHFFFAOYSA-N
XLogP3.16
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.16
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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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-5-methylpyridin-2-one?
The IUPAC name of 1-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-5-methylpyridin-2-one (CID 3007390) is 1-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-5-methylpyridin-2-one.
What is the SMILES notation for 1-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-5-methylpyridin-2-one?
The canonical SMILES for 1-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-5-methylpyridin-2-one is C=C(C(=O)c1ccc(Cl)cc1)n1cc(C)ccc1=O.
What is the InChIKey of 1-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-5-methylpyridin-2-one?
The InChIKey is JVALCGLBCXZWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2/c1-10-3-8-14(18)17(9-10)11(2)15(19)12-4-6-13(16)7-5-12/h3-9H,2H2,1H3.
What are the key properties of 1-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-5-methylpyridin-2-one?
1-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-5-methylpyridin-2-one has a molecular weight of 273.72 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-5-methylpyridin-2-one is sourced from PubChem (CID 3007390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).