1-[(E)-3-(3-chloro-4-fluorophenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one

C14H11ClFNO2 — CID 118689461

IUPAC1-[(E)-3-(3-chloro-4-fluorophenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
SMILESO=C1C=CCCN1C(=O)/C=C/c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H11ClFNO2/c15-11-9-10(4-6-12(11)16)5-7-14(19)17-8-2-1-3-13(17)18/h1,3-7,9H,2,8H2/b7-5+
InChIKeyHZWPLXYFCMMGQX-FNORWQNLSA-N
MW279.70 g/mol
LogP2.81
Rot. Bonds2

About 1-[(E)-3-(3-chloro-4-fluorophenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one

1-[(E)-3-(3-chloro-4-fluorophenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one (PubChem CID 118689461) has the molecular formula C14H11ClFNO2 and a molecular weight of 279.70 g/mol. Its IUPAC name is 1-[(E)-3-(3-chloro-4-fluorophenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name1-[(E)-3-(3-chloro-4-fluorophenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
PubChem CID118689461
Molecular FormulaC14H11ClFNO2
Molecular Weight279.70 g/mol
Exact Mass279.05
IUPAC Name1-[(E)-3-(3-chloro-4-fluorophenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
SMILESO=C1C=CCCN1C(=O)/C=C/c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H11ClFNO2/c15-11-9-10(4-6-12(11)16)5-7-14(19)17-8-2-1-3-13(17)18/h1,3-7,9H,2,8H2/b7-5+
InChIKeyHZWPLXYFCMMGQX-FNORWQNLSA-N
XLogP2.81
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-3-(3-chloro-4-fluorophenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one?
The IUPAC name of 1-[(E)-3-(3-chloro-4-fluorophenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one (CID 118689461) is 1-[(E)-3-(3-chloro-4-fluorophenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one.
What is the SMILES notation for 1-[(E)-3-(3-chloro-4-fluorophenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one?
The canonical SMILES for 1-[(E)-3-(3-chloro-4-fluorophenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one is O=C1C=CCCN1C(=O)/C=C/c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-[(E)-3-(3-chloro-4-fluorophenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one?
The InChIKey is HZWPLXYFCMMGQX-FNORWQNLSA-N. The full InChI is InChI=1S/C14H11ClFNO2/c15-11-9-10(4-6-12(11)16)5-7-14(19)17-8-2-1-3-13(17)18/h1,3-7,9H,2,8H2/b7-5+.
What are the key properties of 1-[(E)-3-(3-chloro-4-fluorophenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one?
1-[(E)-3-(3-chloro-4-fluorophenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one has a molecular weight of 279.70 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(3-chloro-4-fluorophenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one is sourced from PubChem (CID 118689461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).