(4E)-4-[(2Z)-1-methoxypenta-2,4-dienylidene]-3-methyl-1H-pyridin-2-one

C12H15NO2 — CID 143080138

IUPAC(4E)-4-[(2Z)-1-methoxypenta-2,4-dienylidene]-3-methyl-1H-pyridin-2-one
SMILESC=C/C=C\C(OC)=C1\C=CNC(=O)C1C
InChIInChI=1S/C12H15NO2/c1-4-5-6-11(15-3)10-7-8-13-12(14)9(10)2/h4-9H,1H2,2-3H3,(H,13,14)/b6-5-,11-10+
InChIKeyARBKGRZIPQSHIN-GWZUCBFCSA-N
MW205.26 g/mol
LogP1.91
Rot. Bonds3

About (4E)-4-[(2Z)-1-methoxypenta-2,4-dienylidene]-3-methyl-1H-pyridin-2-one

(4E)-4-[(2Z)-1-methoxypenta-2,4-dienylidene]-3-methyl-1H-pyridin-2-one (PubChem CID 143080138) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (4E)-4-[(2Z)-1-methoxypenta-2,4-dienylidene]-3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name(4E)-4-[(2Z)-1-methoxypenta-2,4-dienylidene]-3-methyl-1H-pyridin-2-one
PubChem CID143080138
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(4E)-4-[(2Z)-1-methoxypenta-2,4-dienylidene]-3-methyl-1H-pyridin-2-one
SMILESC=C/C=C\C(OC)=C1\C=CNC(=O)C1C
InChIInChI=1S/C12H15NO2/c1-4-5-6-11(15-3)10-7-8-13-12(14)9(10)2/h4-9H,1H2,2-3H3,(H,13,14)/b6-5-,11-10+
InChIKeyARBKGRZIPQSHIN-GWZUCBFCSA-N
XLogP1.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(2Z)-1-methoxypenta-2,4-dienylidene]-3-methyl-1H-pyridin-2-one?
The IUPAC name of (4E)-4-[(2Z)-1-methoxypenta-2,4-dienylidene]-3-methyl-1H-pyridin-2-one (CID 143080138) is (4E)-4-[(2Z)-1-methoxypenta-2,4-dienylidene]-3-methyl-1H-pyridin-2-one.
What is the SMILES notation for (4E)-4-[(2Z)-1-methoxypenta-2,4-dienylidene]-3-methyl-1H-pyridin-2-one?
The canonical SMILES for (4E)-4-[(2Z)-1-methoxypenta-2,4-dienylidene]-3-methyl-1H-pyridin-2-one is C=C/C=C\C(OC)=C1\C=CNC(=O)C1C.
What is the InChIKey of (4E)-4-[(2Z)-1-methoxypenta-2,4-dienylidene]-3-methyl-1H-pyridin-2-one?
The InChIKey is ARBKGRZIPQSHIN-GWZUCBFCSA-N. The full InChI is InChI=1S/C12H15NO2/c1-4-5-6-11(15-3)10-7-8-13-12(14)9(10)2/h4-9H,1H2,2-3H3,(H,13,14)/b6-5-,11-10+.
What are the key properties of (4E)-4-[(2Z)-1-methoxypenta-2,4-dienylidene]-3-methyl-1H-pyridin-2-one?
(4E)-4-[(2Z)-1-methoxypenta-2,4-dienylidene]-3-methyl-1H-pyridin-2-one has a molecular weight of 205.26 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(2Z)-1-methoxypenta-2,4-dienylidene]-3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 143080138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).