1-(3-pyridazin-3-ylprop-2-enoyl)-2,3-dihydropyridin-6-one

C12H11N3O2 — CID 155338510

IUPAC1-(3-pyridazin-3-ylprop-2-enoyl)-2,3-dihydropyridin-6-one
SMILESO=C1C=CCCN1C(=O)C=Cc1cccnn1
InChIInChI=1S/C12H11N3O2/c16-11-5-1-2-9-15(11)12(17)7-6-10-4-3-8-13-14-10/h1,3-8H,2,9H2
InChIKeyFBMJVVQLNPTRFG-UHFFFAOYSA-N
MW229.24 g/mol
LogP0.80
Rot. Bonds2

About 1-(3-pyridazin-3-ylprop-2-enoyl)-2,3-dihydropyridin-6-one

1-(3-pyridazin-3-ylprop-2-enoyl)-2,3-dihydropyridin-6-one (PubChem CID 155338510) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 1-(3-pyridazin-3-ylprop-2-enoyl)-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name1-(3-pyridazin-3-ylprop-2-enoyl)-2,3-dihydropyridin-6-one
PubChem CID155338510
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name1-(3-pyridazin-3-ylprop-2-enoyl)-2,3-dihydropyridin-6-one
SMILESO=C1C=CCCN1C(=O)C=Cc1cccnn1
InChIInChI=1S/C12H11N3O2/c16-11-5-1-2-9-15(11)12(17)7-6-10-4-3-8-13-14-10/h1,3-8H,2,9H2
InChIKeyFBMJVVQLNPTRFG-UHFFFAOYSA-N
XLogP0.80
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(3-pyridazin-3-ylprop-2-enoyl)-2,3-dihydropyridin-6-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 1-(3-pyridazin-3-ylprop-2-enoyl)-2,3-dihydropyridin-6-one?
The IUPAC name of 1-(3-pyridazin-3-ylprop-2-enoyl)-2,3-dihydropyridin-6-one (CID 155338510) is 1-(3-pyridazin-3-ylprop-2-enoyl)-2,3-dihydropyridin-6-one.
What is the SMILES notation for 1-(3-pyridazin-3-ylprop-2-enoyl)-2,3-dihydropyridin-6-one?
The canonical SMILES for 1-(3-pyridazin-3-ylprop-2-enoyl)-2,3-dihydropyridin-6-one is O=C1C=CCCN1C(=O)C=Cc1cccnn1.
What is the InChIKey of 1-(3-pyridazin-3-ylprop-2-enoyl)-2,3-dihydropyridin-6-one?
The InChIKey is FBMJVVQLNPTRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c16-11-5-1-2-9-15(11)12(17)7-6-10-4-3-8-13-14-10/h1,3-8H,2,9H2.
What are the key properties of 1-(3-pyridazin-3-ylprop-2-enoyl)-2,3-dihydropyridin-6-one?
1-(3-pyridazin-3-ylprop-2-enoyl)-2,3-dihydropyridin-6-one has a molecular weight of 229.24 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyridazin-3-ylprop-2-enoyl)-2,3-dihydropyridin-6-one is sourced from PubChem (CID 155338510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).