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

C15H14FNO3 — CID 118679059

IUPAC1-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
SMILESCOc1ccc(/C=C/C(=O)N2CCC=CC2=O)cc1F
InChIInChI=1S/C15H14FNO3/c1-20-13-7-5-11(10-12(13)16)6-8-15(19)17-9-3-2-4-14(17)18/h2,4-8,10H,3,9H2,1H3/b8-6+
InChIKeyHYMOBUZFQSFSBL-SOFGYWHQSA-N
MW275.28 g/mol
LogP2.16
Rot. Bonds3

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

1-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one (PubChem CID 118679059) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is 1-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name1-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
PubChem CID118679059
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name1-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
SMILESCOc1ccc(/C=C/C(=O)N2CCC=CC2=O)cc1F
InChIInChI=1S/C15H14FNO3/c1-20-13-7-5-11(10-12(13)16)6-8-15(19)17-9-3-2-4-14(17)18/h2,4-8,10H,3,9H2,1H3/b8-6+
InChIKeyHYMOBUZFQSFSBL-SOFGYWHQSA-N
XLogP2.16
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.16
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)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one?
The IUPAC name of 1-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one (CID 118679059) is 1-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one.
What is the SMILES notation for 1-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one?
The canonical SMILES for 1-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one is COc1ccc(/C=C/C(=O)N2CCC=CC2=O)cc1F.
What is the InChIKey of 1-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one?
The InChIKey is HYMOBUZFQSFSBL-SOFGYWHQSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-20-13-7-5-11(10-12(13)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-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one?
1-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one has a molecular weight of 275.28 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one is sourced from PubChem (CID 118679059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).