5-ethenyl-6-[(1Z,3E)-penta-1,3-dienyl]-1H-pyridin-2-one

C12H13NO — CID 134474939

IUPAC5-ethenyl-6-[(1Z,3E)-penta-1,3-dienyl]-1H-pyridin-2-one
SMILESC=Cc1ccc(=O)[nH]c1/C=C\C=C\C
InChIInChI=1S/C12H13NO/c1-3-5-6-7-11-10(4-2)8-9-12(14)13-11/h3-9H,2H2,1H3,(H,13,14)/b5-3+,7-6-
InChIKeyZMVGAYLXDCJVOV-WZWXSLMZSA-N
MW187.24 g/mol
LogP2.61
Rot. Bonds3

About 5-ethenyl-6-[(1Z,3E)-penta-1,3-dienyl]-1H-pyridin-2-one

5-ethenyl-6-[(1Z,3E)-penta-1,3-dienyl]-1H-pyridin-2-one (PubChem CID 134474939) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 5-ethenyl-6-[(1Z,3E)-penta-1,3-dienyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-ethenyl-6-[(1Z,3E)-penta-1,3-dienyl]-1H-pyridin-2-one
PubChem CID134474939
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name5-ethenyl-6-[(1Z,3E)-penta-1,3-dienyl]-1H-pyridin-2-one
SMILESC=Cc1ccc(=O)[nH]c1/C=C\C=C\C
InChIInChI=1S/C12H13NO/c1-3-5-6-7-11-10(4-2)8-9-12(14)13-11/h3-9H,2H2,1H3,(H,13,14)/b5-3+,7-6-
InChIKeyZMVGAYLXDCJVOV-WZWXSLMZSA-N
XLogP2.61
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-6-[(1Z,3E)-penta-1,3-dienyl]-1H-pyridin-2-one?
The IUPAC name of 5-ethenyl-6-[(1Z,3E)-penta-1,3-dienyl]-1H-pyridin-2-one (CID 134474939) is 5-ethenyl-6-[(1Z,3E)-penta-1,3-dienyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-ethenyl-6-[(1Z,3E)-penta-1,3-dienyl]-1H-pyridin-2-one?
The canonical SMILES for 5-ethenyl-6-[(1Z,3E)-penta-1,3-dienyl]-1H-pyridin-2-one is C=Cc1ccc(=O)[nH]c1/C=C\C=C\C.
What is the InChIKey of 5-ethenyl-6-[(1Z,3E)-penta-1,3-dienyl]-1H-pyridin-2-one?
The InChIKey is ZMVGAYLXDCJVOV-WZWXSLMZSA-N. The full InChI is InChI=1S/C12H13NO/c1-3-5-6-7-11-10(4-2)8-9-12(14)13-11/h3-9H,2H2,1H3,(H,13,14)/b5-3+,7-6-.
What are the key properties of 5-ethenyl-6-[(1Z,3E)-penta-1,3-dienyl]-1H-pyridin-2-one?
5-ethenyl-6-[(1Z,3E)-penta-1,3-dienyl]-1H-pyridin-2-one has a molecular weight of 187.24 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-6-[(1Z,3E)-penta-1,3-dienyl]-1H-pyridin-2-one is sourced from PubChem (CID 134474939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).