3,5-bis[(1Z)-buta-1,3-dienyl]-2,6-bis(ethenyl)-1-methylpyridin-4-one

C18H19NO — CID 170097280

IUPAC3,5-bis[(1Z)-buta-1,3-dienyl]-2,6-bis(ethenyl)-1-methylpyridin-4-one
SMILESC=C/C=C\c1c(C=C)n(C)c(C=C)c(/C=C\C=C)c1=O
InChIInChI=1S/C18H19NO/c1-6-10-12-14-16(8-3)19(5)17(9-4)15(18(14)20)13-11-7-2/h6-13H,1-4H2,5H3/b12-10-,13-11-
InChIKeyMLYSBSFSTYXMSS-MIMPSMLTSA-N
MW265.36 g/mol
LogP4.07
Rot. Bonds6

About 3,5-bis[(1Z)-buta-1,3-dienyl]-2,6-bis(ethenyl)-1-methylpyridin-4-one

3,5-bis[(1Z)-buta-1,3-dienyl]-2,6-bis(ethenyl)-1-methylpyridin-4-one (PubChem CID 170097280) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 3,5-bis[(1Z)-buta-1,3-dienyl]-2,6-bis(ethenyl)-1-methylpyridin-4-one.

Molecular Properties

Compound Name3,5-bis[(1Z)-buta-1,3-dienyl]-2,6-bis(ethenyl)-1-methylpyridin-4-one
PubChem CID170097280
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name3,5-bis[(1Z)-buta-1,3-dienyl]-2,6-bis(ethenyl)-1-methylpyridin-4-one
SMILESC=C/C=C\c1c(C=C)n(C)c(C=C)c(/C=C\C=C)c1=O
InChIInChI=1S/C18H19NO/c1-6-10-12-14-16(8-3)19(5)17(9-4)15(18(14)20)13-11-7-2/h6-13H,1-4H2,5H3/b12-10-,13-11-
InChIKeyMLYSBSFSTYXMSS-MIMPSMLTSA-N
XLogP4.07
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 3,5-bis[(1Z)-buta-1,3-dienyl]-2,6-bis(ethenyl)-1-methylpyridin-4-one 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 3,5-bis[(1Z)-buta-1,3-dienyl]-2,6-bis(ethenyl)-1-methylpyridin-4-one?
The IUPAC name of 3,5-bis[(1Z)-buta-1,3-dienyl]-2,6-bis(ethenyl)-1-methylpyridin-4-one (CID 170097280) is 3,5-bis[(1Z)-buta-1,3-dienyl]-2,6-bis(ethenyl)-1-methylpyridin-4-one.
What is the SMILES notation for 3,5-bis[(1Z)-buta-1,3-dienyl]-2,6-bis(ethenyl)-1-methylpyridin-4-one?
The canonical SMILES for 3,5-bis[(1Z)-buta-1,3-dienyl]-2,6-bis(ethenyl)-1-methylpyridin-4-one is C=C/C=C\c1c(C=C)n(C)c(C=C)c(/C=C\C=C)c1=O.
What is the InChIKey of 3,5-bis[(1Z)-buta-1,3-dienyl]-2,6-bis(ethenyl)-1-methylpyridin-4-one?
The InChIKey is MLYSBSFSTYXMSS-MIMPSMLTSA-N. The full InChI is InChI=1S/C18H19NO/c1-6-10-12-14-16(8-3)19(5)17(9-4)15(18(14)20)13-11-7-2/h6-13H,1-4H2,5H3/b12-10-,13-11-.
What are the key properties of 3,5-bis[(1Z)-buta-1,3-dienyl]-2,6-bis(ethenyl)-1-methylpyridin-4-one?
3,5-bis[(1Z)-buta-1,3-dienyl]-2,6-bis(ethenyl)-1-methylpyridin-4-one has a molecular weight of 265.36 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[(1Z)-buta-1,3-dienyl]-2,6-bis(ethenyl)-1-methylpyridin-4-one is sourced from PubChem (CID 170097280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).