5-(difluoromethyl)-1-[(2Z,4E)-4-methoxyhexa-2,4-dienyl]pyridin-2-one;ethene

C15H19F2NO2 — CID 143329579

IUPAC5-(difluoromethyl)-1-[(2Z,4E)-4-methoxyhexa-2,4-dienyl]pyridin-2-one;ethene
SMILESC/C=C(\C=C/Cn1cc(C(F)F)ccc1=O)OC.C=C
InChIInChI=1S/C13H15F2NO2.C2H4/c1-3-11(18-2)5-4-8-16-9-10(13(14)15)6-7-12(16)17;1-2/h3-7,9,13H,8H2,1-2H3;1-2H2/b5-4-,11-3+;
InChIKeyAFJFBHGJNUUZII-KJAMOBPCSA-N
MW283.32 g/mol
LogP3.69
Rot. Bonds5

About 5-(difluoromethyl)-1-[(2Z,4E)-4-methoxyhexa-2,4-dienyl]pyridin-2-one;ethene

5-(difluoromethyl)-1-[(2Z,4E)-4-methoxyhexa-2,4-dienyl]pyridin-2-one;ethene (PubChem CID 143329579) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is 5-(difluoromethyl)-1-[(2Z,4E)-4-methoxyhexa-2,4-dienyl]pyridin-2-one;ethene.

Molecular Properties

Compound Name5-(difluoromethyl)-1-[(2Z,4E)-4-methoxyhexa-2,4-dienyl]pyridin-2-one;ethene
PubChem CID143329579
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name5-(difluoromethyl)-1-[(2Z,4E)-4-methoxyhexa-2,4-dienyl]pyridin-2-one;ethene
SMILESC/C=C(\C=C/Cn1cc(C(F)F)ccc1=O)OC.C=C
InChIInChI=1S/C13H15F2NO2.C2H4/c1-3-11(18-2)5-4-8-16-9-10(13(14)15)6-7-12(16)17;1-2/h3-7,9,13H,8H2,1-2H3;1-2H2/b5-4-,11-3+;
InChIKeyAFJFBHGJNUUZII-KJAMOBPCSA-N
XLogP3.69
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 5-(difluoromethyl)-1-[(2Z,4E)-4-methoxyhexa-2,4-dienyl]pyridin-2-one;ethene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-1-[(2Z,4E)-4-methoxyhexa-2,4-dienyl]pyridin-2-one;ethene?
The IUPAC name of 5-(difluoromethyl)-1-[(2Z,4E)-4-methoxyhexa-2,4-dienyl]pyridin-2-one;ethene (CID 143329579) is 5-(difluoromethyl)-1-[(2Z,4E)-4-methoxyhexa-2,4-dienyl]pyridin-2-one;ethene.
What is the SMILES notation for 5-(difluoromethyl)-1-[(2Z,4E)-4-methoxyhexa-2,4-dienyl]pyridin-2-one;ethene?
The canonical SMILES for 5-(difluoromethyl)-1-[(2Z,4E)-4-methoxyhexa-2,4-dienyl]pyridin-2-one;ethene is C/C=C(\C=C/Cn1cc(C(F)F)ccc1=O)OC.C=C.
What is the InChIKey of 5-(difluoromethyl)-1-[(2Z,4E)-4-methoxyhexa-2,4-dienyl]pyridin-2-one;ethene?
The InChIKey is AFJFBHGJNUUZII-KJAMOBPCSA-N. The full InChI is InChI=1S/C13H15F2NO2.C2H4/c1-3-11(18-2)5-4-8-16-9-10(13(14)15)6-7-12(16)17;1-2/h3-7,9,13H,8H2,1-2H3;1-2H2/b5-4-,11-3+;.
What are the key properties of 5-(difluoromethyl)-1-[(2Z,4E)-4-methoxyhexa-2,4-dienyl]pyridin-2-one;ethene?
5-(difluoromethyl)-1-[(2Z,4E)-4-methoxyhexa-2,4-dienyl]pyridin-2-one;ethene has a molecular weight of 283.32 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-1-[(2Z,4E)-4-methoxyhexa-2,4-dienyl]pyridin-2-one;ethene is sourced from PubChem (CID 143329579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).