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

C15H14FNO2 — CID 130376318

IUPAC1-[(E)-3-(3-fluoro-4-methylphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
SMILESCc1ccc(/C=C/C(=O)N2CCC=CC2=O)cc1F
InChIInChI=1S/C15H14FNO2/c1-11-5-6-12(10-13(11)16)7-8-15(19)17-9-3-2-4-14(17)18/h2,4-8,10H,3,9H2,1H3/b8-7+
InChIKeySVCWNEAZIVKQJJ-BQYQJAHWSA-N
MW259.28 g/mol
LogP2.46
Rot. Bonds2

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

1-[(E)-3-(3-fluoro-4-methylphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one (PubChem CID 130376318) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 1-[(E)-3-(3-fluoro-4-methylphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name1-[(E)-3-(3-fluoro-4-methylphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
PubChem CID130376318
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name1-[(E)-3-(3-fluoro-4-methylphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
SMILESCc1ccc(/C=C/C(=O)N2CCC=CC2=O)cc1F
InChIInChI=1S/C15H14FNO2/c1-11-5-6-12(10-13(11)16)7-8-15(19)17-9-3-2-4-14(17)18/h2,4-8,10H,3,9H2,1H3/b8-7+
InChIKeySVCWNEAZIVKQJJ-BQYQJAHWSA-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

(E)-3-(3-fluoro-4-methylphenyl)-1-piperidin-1-ylprop-2-en-1-one
CID 141141574
1-[(E)-3-pyridin-3-ylprop-2-enoyl]-2,3-dihydropyridin-6-one
CID 118679072
1-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
CID 118679067
1-[(E)-3-(4-ethoxy-3-methoxy-5-methylphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
CID 58170794
1-(3-pyridin-4-ylprop-2-enoyl)-3,4-dihydro-2H-azepin-7-one
CID 155645985
1-[(E)-3-[4-(3,3-dimethylhexoxy)-3,5-dimethoxyphenyl]prop-2-enoyl]-2,3-dihydropyridin-6-one
CID 176713546
1-[(E)-3-[3-[2-(oxan-4-yl)ethoxy]phenyl]prop-2-enoyl]-2,3-dihydropyridin-6-one
CID 170564757
1-(3-pyridazin-3-ylprop-2-enoyl)-2,3-dihydropyridin-6-one
CID 155338510
1-[(E)-3-(2,5-dioxabicyclo[4.4.0]deca-1(6),7,9-trien-3-yn-8-yl)prop-2-enoyl]-2H-pyrrol-5-one
CID 164808134
tert-butyl N-[2-[2,6-dimethoxy-4-[(E)-3-oxo-3-(6-oxo-2,3-dihydropyridin-1-yl)prop-1-enyl]phenoxy]ethyl]carbamate
CID 66613197
tert-butyl N-[2-[2-methoxy-6-methyl-4-[(E)-3-oxo-3-(6-oxo-2,3-dihydropyridin-1-yl)prop-1-enyl]phenoxy]ethyl]-N-methylcarbamate
CID 58170805
(4-methylphenyl) (E)-3-(3-fluoro-4-methylphenyl)prop-2-enoate
CID 142377095

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(3-fluoro-4-methylphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one?
The IUPAC name of 1-[(E)-3-(3-fluoro-4-methylphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one (CID 130376318) is 1-[(E)-3-(3-fluoro-4-methylphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one.
What is the SMILES notation for 1-[(E)-3-(3-fluoro-4-methylphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one?
The canonical SMILES for 1-[(E)-3-(3-fluoro-4-methylphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one is Cc1ccc(/C=C/C(=O)N2CCC=CC2=O)cc1F.
What is the InChIKey of 1-[(E)-3-(3-fluoro-4-methylphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one?
The InChIKey is SVCWNEAZIVKQJJ-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-11-5-6-12(10-13(11)16)7-8-15(19)17-9-3-2-4-14(17)18/h2,4-8,10H,3,9H2,1H3/b8-7+.
What are the key properties of 1-[(E)-3-(3-fluoro-4-methylphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one?
1-[(E)-3-(3-fluoro-4-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-(3-fluoro-4-methylphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one is sourced from PubChem (CID 130376318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).