(1E,4E)-1,5-dipyridin-3-ylpenta-1,4-dien-3-one

C15H12N2O — CID 5382674

IUPAC(1E,4E)-1,5-dipyridin-3-ylpenta-1,4-dien-3-one
SMILESO=C(/C=C/c1cccnc1)/C=C/c1cccnc1
InChIInChI=1S/C15H12N2O/c18-15(7-5-13-3-1-9-16-11-13)8-6-14-4-2-10-17-12-14/h1-12H/b7-5+,8-6+
InChIKeyUWILVEPRHIRCJK-KQQUZDAGSA-N
MW236.27 g/mol
LogP2.77
Rot. Bonds4

About (1E,4E)-1,5-dipyridin-3-ylpenta-1,4-dien-3-one

(1E,4E)-1,5-dipyridin-3-ylpenta-1,4-dien-3-one (PubChem CID 5382674) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is (1E,4E)-1,5-dipyridin-3-ylpenta-1,4-dien-3-one.

Molecular Properties

Compound Name(1E,4E)-1,5-dipyridin-3-ylpenta-1,4-dien-3-one
PubChem CID5382674
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name(1E,4E)-1,5-dipyridin-3-ylpenta-1,4-dien-3-one
SMILESO=C(/C=C/c1cccnc1)/C=C/c1cccnc1
InChIInChI=1S/C15H12N2O/c18-15(7-5-13-3-1-9-16-11-13)8-6-14-4-2-10-17-12-14/h1-12H/b7-5+,8-6+
InChIKeyUWILVEPRHIRCJK-KQQUZDAGSA-N
XLogP2.77
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E,4E)-1,5-dipyridin-3-ylpenta-1,4-dien-3-one?
The IUPAC name of (1E,4E)-1,5-dipyridin-3-ylpenta-1,4-dien-3-one (CID 5382674) is (1E,4E)-1,5-dipyridin-3-ylpenta-1,4-dien-3-one.
What is the SMILES notation for (1E,4E)-1,5-dipyridin-3-ylpenta-1,4-dien-3-one?
The canonical SMILES for (1E,4E)-1,5-dipyridin-3-ylpenta-1,4-dien-3-one is O=C(/C=C/c1cccnc1)/C=C/c1cccnc1.
What is the InChIKey of (1E,4E)-1,5-dipyridin-3-ylpenta-1,4-dien-3-one?
The InChIKey is UWILVEPRHIRCJK-KQQUZDAGSA-N. The full InChI is InChI=1S/C15H12N2O/c18-15(7-5-13-3-1-9-16-11-13)8-6-14-4-2-10-17-12-14/h1-12H/b7-5+,8-6+.
What are the key properties of (1E,4E)-1,5-dipyridin-3-ylpenta-1,4-dien-3-one?
(1E,4E)-1,5-dipyridin-3-ylpenta-1,4-dien-3-one has a molecular weight of 236.27 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E)-1,5-dipyridin-3-ylpenta-1,4-dien-3-one is sourced from PubChem (CID 5382674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).