3-[(E)-2-(3-prop-2-ynoxyphenyl)ethenyl]-1H-pyridazin-6-one

C15H12N2O2 — CID 88663337

IUPAC3-[(E)-2-(3-prop-2-ynoxyphenyl)ethenyl]-1H-pyridazin-6-one
SMILESC#CCOc1cccc(/C=C/c2ccc(=O)[nH]n2)c1
InChIInChI=1S/C15H12N2O2/c1-2-10-19-14-5-3-4-12(11-14)6-7-13-8-9-15(18)17-16-13/h1,3-9,11H,10H2,(H,17,18)/b7-6+
InChIKeyZUQPMTFUSWDEBC-VOTSOKGWSA-N
MW252.27 g/mol
LogP1.95
Rot. Bonds4

About 3-[(E)-2-(3-prop-2-ynoxyphenyl)ethenyl]-1H-pyridazin-6-one

3-[(E)-2-(3-prop-2-ynoxyphenyl)ethenyl]-1H-pyridazin-6-one (PubChem CID 88663337) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-[(E)-2-(3-prop-2-ynoxyphenyl)ethenyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[(E)-2-(3-prop-2-ynoxyphenyl)ethenyl]-1H-pyridazin-6-one
PubChem CID88663337
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name3-[(E)-2-(3-prop-2-ynoxyphenyl)ethenyl]-1H-pyridazin-6-one
SMILESC#CCOc1cccc(/C=C/c2ccc(=O)[nH]n2)c1
InChIInChI=1S/C15H12N2O2/c1-2-10-19-14-5-3-4-12(11-14)6-7-13-8-9-15(18)17-16-13/h1,3-9,11H,10H2,(H,17,18)/b7-6+
InChIKeyZUQPMTFUSWDEBC-VOTSOKGWSA-N
XLogP1.95
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(E)-2-(3-prop-2-ynoxyphenyl)ethenyl]-1H-pyridazin-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 3-[(E)-2-(3-prop-2-ynoxyphenyl)ethenyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[(E)-2-(3-prop-2-ynoxyphenyl)ethenyl]-1H-pyridazin-6-one (CID 88663337) is 3-[(E)-2-(3-prop-2-ynoxyphenyl)ethenyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[(E)-2-(3-prop-2-ynoxyphenyl)ethenyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[(E)-2-(3-prop-2-ynoxyphenyl)ethenyl]-1H-pyridazin-6-one is C#CCOc1cccc(/C=C/c2ccc(=O)[nH]n2)c1.
What is the InChIKey of 3-[(E)-2-(3-prop-2-ynoxyphenyl)ethenyl]-1H-pyridazin-6-one?
The InChIKey is ZUQPMTFUSWDEBC-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-2-10-19-14-5-3-4-12(11-14)6-7-13-8-9-15(18)17-16-13/h1,3-9,11H,10H2,(H,17,18)/b7-6+.
What are the key properties of 3-[(E)-2-(3-prop-2-ynoxyphenyl)ethenyl]-1H-pyridazin-6-one?
3-[(E)-2-(3-prop-2-ynoxyphenyl)ethenyl]-1H-pyridazin-6-one has a molecular weight of 252.27 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(3-prop-2-ynoxyphenyl)ethenyl]-1H-pyridazin-6-one is sourced from PubChem (CID 88663337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).