1-[(E)-1-(2,4-dichlorophenyl)-1-oxobut-2-en-2-yl]pyridin-2-one

C15H11Cl2NO2 — CID 58630610

IUPAC1-[(E)-1-(2,4-dichlorophenyl)-1-oxobut-2-en-2-yl]pyridin-2-one
SMILESC/C=C(\C(=O)c1ccc(Cl)cc1Cl)n1ccccc1=O
InChIInChI=1S/C15H11Cl2NO2/c1-2-13(18-8-4-3-5-14(18)19)15(20)11-7-6-10(16)9-12(11)17/h2-9H,1H3/b13-2+
InChIKeyXQCNQUJRCMPJMY-XNJYKOPJSA-N
MW308.16 g/mol
LogP3.90
Rot. Bonds3

About 1-[(E)-1-(2,4-dichlorophenyl)-1-oxobut-2-en-2-yl]pyridin-2-one

1-[(E)-1-(2,4-dichlorophenyl)-1-oxobut-2-en-2-yl]pyridin-2-one (PubChem CID 58630610) has the molecular formula C15H11Cl2NO2 and a molecular weight of 308.16 g/mol. Its IUPAC name is 1-[(E)-1-(2,4-dichlorophenyl)-1-oxobut-2-en-2-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[(E)-1-(2,4-dichlorophenyl)-1-oxobut-2-en-2-yl]pyridin-2-one
PubChem CID58630610
Molecular FormulaC15H11Cl2NO2
Molecular Weight308.16 g/mol
Exact Mass307.02
IUPAC Name1-[(E)-1-(2,4-dichlorophenyl)-1-oxobut-2-en-2-yl]pyridin-2-one
SMILESC/C=C(\C(=O)c1ccc(Cl)cc1Cl)n1ccccc1=O
InChIInChI=1S/C15H11Cl2NO2/c1-2-13(18-8-4-3-5-14(18)19)15(20)11-7-6-10(16)9-12(11)17/h2-9H,1H3/b13-2+
InChIKeyXQCNQUJRCMPJMY-XNJYKOPJSA-N
XLogP3.90
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.16
LogP ≤ 53.90
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-[(E)-1-(2,4-dichlorophenyl)-1-oxobut-2-en-2-yl]pyridin-2-one?
The IUPAC name of 1-[(E)-1-(2,4-dichlorophenyl)-1-oxobut-2-en-2-yl]pyridin-2-one (CID 58630610) is 1-[(E)-1-(2,4-dichlorophenyl)-1-oxobut-2-en-2-yl]pyridin-2-one.
What is the SMILES notation for 1-[(E)-1-(2,4-dichlorophenyl)-1-oxobut-2-en-2-yl]pyridin-2-one?
The canonical SMILES for 1-[(E)-1-(2,4-dichlorophenyl)-1-oxobut-2-en-2-yl]pyridin-2-one is C/C=C(\C(=O)c1ccc(Cl)cc1Cl)n1ccccc1=O.
What is the InChIKey of 1-[(E)-1-(2,4-dichlorophenyl)-1-oxobut-2-en-2-yl]pyridin-2-one?
The InChIKey is XQCNQUJRCMPJMY-XNJYKOPJSA-N. The full InChI is InChI=1S/C15H11Cl2NO2/c1-2-13(18-8-4-3-5-14(18)19)15(20)11-7-6-10(16)9-12(11)17/h2-9H,1H3/b13-2+.
What are the key properties of 1-[(E)-1-(2,4-dichlorophenyl)-1-oxobut-2-en-2-yl]pyridin-2-one?
1-[(E)-1-(2,4-dichlorophenyl)-1-oxobut-2-en-2-yl]pyridin-2-one has a molecular weight of 308.16 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-(2,4-dichlorophenyl)-1-oxobut-2-en-2-yl]pyridin-2-one is sourced from PubChem (CID 58630610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).