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

C15H14FNO2 — CID 118689460

IUPAC1-[(E)-3-(4-fluoro-3-methylphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
SMILESCc1cc(/C=C/C(=O)N2CCC=CC2=O)ccc1F
InChIInChI=1S/C15H14FNO2/c1-11-10-12(5-7-13(11)16)6-8-15(19)17-9-3-2-4-14(17)18/h2,4-8,10H,3,9H2,1H3/b8-6+
InChIKeyRVJPAYSEJIDKGY-SOFGYWHQSA-N
MW259.28 g/mol
LogP2.46
Rot. Bonds2

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

1-[(E)-3-(4-fluoro-3-methylphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one (PubChem CID 118689460) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 1-[(E)-3-(4-fluoro-3-methylphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name1-[(E)-3-(4-fluoro-3-methylphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
PubChem CID118689460
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name1-[(E)-3-(4-fluoro-3-methylphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
SMILESCc1cc(/C=C/C(=O)N2CCC=CC2=O)ccc1F
InChIInChI=1S/C15H14FNO2/c1-11-10-12(5-7-13(11)16)6-8-15(19)17-9-3-2-4-14(17)18/h2,4-8,10H,3,9H2,1H3/b8-6+
InChIKeyRVJPAYSEJIDKGY-SOFGYWHQSA-N
XLogP2.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.46
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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Related Compounds

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Piperazine, 4-methyl-1-(m-(trifluoromethyl)cinnamoyl)-
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5-chloro-1-[(E)-3-phenylprop-2-enoyl]-2,3-dihydropyridin-6-one
CID 137661446
1-Ethyl-4-[3-(4-fluorophenyl)acryloyl]piperazine
CID 897639
1-[(E)-3-phenylprop-2-enoyl]-2,3-dihydropyridin-6-one
CID 60184708
1-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]-2,3-dihydropyridin-6-one
CID 60188103
1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
CID 60188107

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(4-fluoro-3-methylphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one?
The IUPAC name of 1-[(E)-3-(4-fluoro-3-methylphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one (CID 118689460) is 1-[(E)-3-(4-fluoro-3-methylphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one.
What is the SMILES notation for 1-[(E)-3-(4-fluoro-3-methylphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one?
The canonical SMILES for 1-[(E)-3-(4-fluoro-3-methylphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one is Cc1cc(/C=C/C(=O)N2CCC=CC2=O)ccc1F.
What is the InChIKey of 1-[(E)-3-(4-fluoro-3-methylphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one?
The InChIKey is RVJPAYSEJIDKGY-SOFGYWHQSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-11-10-12(5-7-13(11)16)6-8-15(19)17-9-3-2-4-14(17)18/h2,4-8,10H,3,9H2,1H3/b8-6+.
What are the key properties of 1-[(E)-3-(4-fluoro-3-methylphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one?
1-[(E)-3-(4-fluoro-3-methylphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one has a molecular weight of 259.28 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(4-fluoro-3-methylphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one is sourced from PubChem (CID 118689460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).