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

C14H10ClNO2 — CID 3007384

IUPAC1-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]pyridin-2-one
SMILESC=C(C(=O)c1ccc(Cl)cc1)n1ccccc1=O
InChIInChI=1S/C14H10ClNO2/c1-10(16-9-3-2-4-13(16)17)14(18)11-5-7-12(15)8-6-11/h2-9H,1H2
InChIKeyCSEDGWVKRDWZEH-UHFFFAOYSA-N
MW259.69 g/mol
LogP2.86
Rot. Bonds3

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

1-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]pyridin-2-one (PubChem CID 3007384) has the molecular formula C14H10ClNO2 and a molecular weight of 259.69 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]pyridin-2-one
PubChem CID3007384
Molecular FormulaC14H10ClNO2
Molecular Weight259.69 g/mol
Exact Mass259.04
IUPAC Name1-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]pyridin-2-one
SMILESC=C(C(=O)c1ccc(Cl)cc1)n1ccccc1=O
InChIInChI=1S/C14H10ClNO2/c1-10(16-9-3-2-4-13(16)17)14(18)11-5-7-12(15)8-6-11/h2-9H,1H2
InChIKeyCSEDGWVKRDWZEH-UHFFFAOYSA-N
XLogP2.86
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 52.86
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]pyridin-2-one?
The IUPAC name of 1-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]pyridin-2-one (CID 3007384) is 1-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]pyridin-2-one.
What is the SMILES notation for 1-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]pyridin-2-one?
The canonical SMILES for 1-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]pyridin-2-one is C=C(C(=O)c1ccc(Cl)cc1)n1ccccc1=O.
What is the InChIKey of 1-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]pyridin-2-one?
The InChIKey is CSEDGWVKRDWZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO2/c1-10(16-9-3-2-4-13(16)17)14(18)11-5-7-12(15)8-6-11/h2-9H,1H2.
What are the key properties of 1-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]pyridin-2-one?
1-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]pyridin-2-one has a molecular weight of 259.69 g/mol, XLogP of 2.86, 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]pyridin-2-one is sourced from PubChem (CID 3007384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).