1-[(E)-1-(4-chlorophenyl)-1-oxopent-2-en-2-yl]pyridin-2-one

C16H14ClNO2 — CID 20841526

IUPAC1-[(E)-1-(4-chlorophenyl)-1-oxopent-2-en-2-yl]pyridin-2-one
SMILESCC/C=C(\C(=O)c1ccc(Cl)cc1)n1ccccc1=O
InChIInChI=1S/C16H14ClNO2/c1-2-5-14(18-11-4-3-6-15(18)19)16(20)12-7-9-13(17)10-8-12/h3-11H,2H2,1H3/b14-5+
InChIKeyPFEHQAAFGGBOEP-LHHJGKSTSA-N
MW287.75 g/mol
LogP3.64
Rot. Bonds4

About 1-[(E)-1-(4-chlorophenyl)-1-oxopent-2-en-2-yl]pyridin-2-one

1-[(E)-1-(4-chlorophenyl)-1-oxopent-2-en-2-yl]pyridin-2-one (PubChem CID 20841526) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is 1-[(E)-1-(4-chlorophenyl)-1-oxopent-2-en-2-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[(E)-1-(4-chlorophenyl)-1-oxopent-2-en-2-yl]pyridin-2-one
PubChem CID20841526
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name1-[(E)-1-(4-chlorophenyl)-1-oxopent-2-en-2-yl]pyridin-2-one
SMILESCC/C=C(\C(=O)c1ccc(Cl)cc1)n1ccccc1=O
InChIInChI=1S/C16H14ClNO2/c1-2-5-14(18-11-4-3-6-15(18)19)16(20)12-7-9-13(17)10-8-12/h3-11H,2H2,1H3/b14-5+
InChIKeyPFEHQAAFGGBOEP-LHHJGKSTSA-N
XLogP3.64
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.64
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-(4-chlorophenyl)-1-oxopent-2-en-2-yl]pyridin-2-one?
The IUPAC name of 1-[(E)-1-(4-chlorophenyl)-1-oxopent-2-en-2-yl]pyridin-2-one (CID 20841526) is 1-[(E)-1-(4-chlorophenyl)-1-oxopent-2-en-2-yl]pyridin-2-one.
What is the SMILES notation for 1-[(E)-1-(4-chlorophenyl)-1-oxopent-2-en-2-yl]pyridin-2-one?
The canonical SMILES for 1-[(E)-1-(4-chlorophenyl)-1-oxopent-2-en-2-yl]pyridin-2-one is CC/C=C(\C(=O)c1ccc(Cl)cc1)n1ccccc1=O.
What is the InChIKey of 1-[(E)-1-(4-chlorophenyl)-1-oxopent-2-en-2-yl]pyridin-2-one?
The InChIKey is PFEHQAAFGGBOEP-LHHJGKSTSA-N. The full InChI is InChI=1S/C16H14ClNO2/c1-2-5-14(18-11-4-3-6-15(18)19)16(20)12-7-9-13(17)10-8-12/h3-11H,2H2,1H3/b14-5+.
What are the key properties of 1-[(E)-1-(4-chlorophenyl)-1-oxopent-2-en-2-yl]pyridin-2-one?
1-[(E)-1-(4-chlorophenyl)-1-oxopent-2-en-2-yl]pyridin-2-one has a molecular weight of 287.75 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-(4-chlorophenyl)-1-oxopent-2-en-2-yl]pyridin-2-one is sourced from PubChem (CID 20841526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).