1,5-dipyridin-4-ylpenta-1,4-diyn-3-one

C15H8N2O — CID 143015613

IUPAC1,5-dipyridin-4-ylpenta-1,4-diyn-3-one
SMILESO=C(C#Cc1ccncc1)C#Cc1ccncc1
InChIInChI=1S/C15H8N2O/c18-15(3-1-13-5-9-16-10-6-13)4-2-14-7-11-17-12-8-14/h5-12H
InChIKeyVAEVHPOMNYQAJO-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.45
Rot. Bonds

About 1,5-dipyridin-4-ylpenta-1,4-diyn-3-one

1,5-dipyridin-4-ylpenta-1,4-diyn-3-one (PubChem CID 143015613) has the molecular formula C15H8N2O and a molecular weight of 232.24 g/mol. Its IUPAC name is 1,5-dipyridin-4-ylpenta-1,4-diyn-3-one.

Molecular Properties

Compound Name1,5-dipyridin-4-ylpenta-1,4-diyn-3-one
PubChem CID143015613
Molecular FormulaC15H8N2O
Molecular Weight232.24 g/mol
Exact Mass232.06
IUPAC Name1,5-dipyridin-4-ylpenta-1,4-diyn-3-one
SMILESO=C(C#Cc1ccncc1)C#Cc1ccncc1
InChIInChI=1S/C15H8N2O/c18-15(3-1-13-5-9-16-10-6-13)4-2-14-7-11-17-12-8-14/h5-12H
InChIKeyVAEVHPOMNYQAJO-UHFFFAOYSA-N
XLogP1.45
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_yne_A(1)', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,5-dipyridin-4-ylpenta-1,4-diyn-3-one?
The IUPAC name of 1,5-dipyridin-4-ylpenta-1,4-diyn-3-one (CID 143015613) is 1,5-dipyridin-4-ylpenta-1,4-diyn-3-one.
What is the SMILES notation for 1,5-dipyridin-4-ylpenta-1,4-diyn-3-one?
The canonical SMILES for 1,5-dipyridin-4-ylpenta-1,4-diyn-3-one is O=C(C#Cc1ccncc1)C#Cc1ccncc1.
What is the InChIKey of 1,5-dipyridin-4-ylpenta-1,4-diyn-3-one?
The InChIKey is VAEVHPOMNYQAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8N2O/c18-15(3-1-13-5-9-16-10-6-13)4-2-14-7-11-17-12-8-14/h5-12H.
What are the key properties of 1,5-dipyridin-4-ylpenta-1,4-diyn-3-one?
1,5-dipyridin-4-ylpenta-1,4-diyn-3-one has a molecular weight of 232.24 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dipyridin-4-ylpenta-1,4-diyn-3-one is sourced from PubChem (CID 143015613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).