1-[2-(4-chlorobenzoyl)prop-2-enyl]pyridin-2-one

C15H12ClNO2 — CID 3007414

IUPAC1-[2-(4-chlorobenzoyl)prop-2-enyl]pyridin-2-one
SMILESC=C(Cn1ccccc1=O)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClNO2/c1-11(10-17-9-3-2-4-14(17)18)15(19)12-5-7-13(16)8-6-12/h2-9H,1,10H2
InChIKeyYAYMHSVCYOOJNL-UHFFFAOYSA-N
MW273.72 g/mol
LogP2.94
Rot. Bonds4

About 1-[2-(4-chlorobenzoyl)prop-2-enyl]pyridin-2-one

1-[2-(4-chlorobenzoyl)prop-2-enyl]pyridin-2-one (PubChem CID 3007414) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is 1-[2-(4-chlorobenzoyl)prop-2-enyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(4-chlorobenzoyl)prop-2-enyl]pyridin-2-one
PubChem CID3007414
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC Name1-[2-(4-chlorobenzoyl)prop-2-enyl]pyridin-2-one
SMILESC=C(Cn1ccccc1=O)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClNO2/c1-11(10-17-9-3-2-4-14(17)18)15(19)12-5-7-13(16)8-6-12/h2-9H,1,10H2
InChIKeyYAYMHSVCYOOJNL-UHFFFAOYSA-N
XLogP2.94
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 52.94
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-[2-(4-chlorobenzoyl)prop-2-enyl]pyridin-2-one?
The IUPAC name of 1-[2-(4-chlorobenzoyl)prop-2-enyl]pyridin-2-one (CID 3007414) is 1-[2-(4-chlorobenzoyl)prop-2-enyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(4-chlorobenzoyl)prop-2-enyl]pyridin-2-one?
The canonical SMILES for 1-[2-(4-chlorobenzoyl)prop-2-enyl]pyridin-2-one is C=C(Cn1ccccc1=O)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorobenzoyl)prop-2-enyl]pyridin-2-one?
The InChIKey is YAYMHSVCYOOJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2/c1-11(10-17-9-3-2-4-14(17)18)15(19)12-5-7-13(16)8-6-12/h2-9H,1,10H2.
What are the key properties of 1-[2-(4-chlorobenzoyl)prop-2-enyl]pyridin-2-one?
1-[2-(4-chlorobenzoyl)prop-2-enyl]pyridin-2-one has a molecular weight of 273.72 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorobenzoyl)prop-2-enyl]pyridin-2-one is sourced from PubChem (CID 3007414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).