2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2,3-dihydro-1H-pyridin-6-one

C14H12F3NO — CID 70683812

IUPAC2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2,3-dihydro-1H-pyridin-6-one
SMILESO=C1C=CCC(/C=C/c2ccc(C(F)(F)F)cc2)N1
InChIInChI=1S/C14H12F3NO/c15-14(16,17)11-7-4-10(5-8-11)6-9-12-2-1-3-13(19)18-12/h1,3-9,12H,2H2,(H,18,19)/b9-6+
InChIKeyJWSNFYXSJWMSLF-RMKNXTFCSA-N
MW267.25 g/mol
LogP3.16
Rot. Bonds2

About 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2,3-dihydro-1H-pyridin-6-one

2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2,3-dihydro-1H-pyridin-6-one (PubChem CID 70683812) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2,3-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Name2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2,3-dihydro-1H-pyridin-6-one
PubChem CID70683812
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2,3-dihydro-1H-pyridin-6-one
SMILESO=C1C=CCC(/C=C/c2ccc(C(F)(F)F)cc2)N1
InChIInChI=1S/C14H12F3NO/c15-14(16,17)11-7-4-10(5-8-11)6-9-12-2-1-3-13(19)18-12/h1,3-9,12H,2H2,(H,18,19)/b9-6+
InChIKeyJWSNFYXSJWMSLF-RMKNXTFCSA-N
XLogP3.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2,3-dihydro-1H-pyridin-6-one?
The IUPAC name of 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2,3-dihydro-1H-pyridin-6-one (CID 70683812) is 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2,3-dihydro-1H-pyridin-6-one.
What is the SMILES notation for 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2,3-dihydro-1H-pyridin-6-one?
The canonical SMILES for 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2,3-dihydro-1H-pyridin-6-one is O=C1C=CCC(/C=C/c2ccc(C(F)(F)F)cc2)N1.
What is the InChIKey of 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2,3-dihydro-1H-pyridin-6-one?
The InChIKey is JWSNFYXSJWMSLF-RMKNXTFCSA-N. The full InChI is InChI=1S/C14H12F3NO/c15-14(16,17)11-7-4-10(5-8-11)6-9-12-2-1-3-13(19)18-12/h1,3-9,12H,2H2,(H,18,19)/b9-6+.
What are the key properties of 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2,3-dihydro-1H-pyridin-6-one?
2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2,3-dihydro-1H-pyridin-6-one has a molecular weight of 267.25 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2,3-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 70683812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).