4,5-dichloro-2-[(2E)-2-ethenylpenta-2,4-dienyl]pyridazin-3-one

C11H10Cl2N2O — CID 145299025

IUPAC4,5-dichloro-2-[(2E)-2-ethenylpenta-2,4-dienyl]pyridazin-3-one
SMILESC=C/C=C(\C=C)Cn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C11H10Cl2N2O/c1-3-5-8(4-2)7-15-11(16)10(13)9(12)6-14-15/h3-6H,1-2,7H2/b8-5+
InChIKeySZSNUMDEERIWAY-VMPITWQZSA-N
MW257.12 g/mol
LogP2.85
Rot. Bonds4

About 4,5-dichloro-2-[(2E)-2-ethenylpenta-2,4-dienyl]pyridazin-3-one

4,5-dichloro-2-[(2E)-2-ethenylpenta-2,4-dienyl]pyridazin-3-one (PubChem CID 145299025) has the molecular formula C11H10Cl2N2O and a molecular weight of 257.12 g/mol. Its IUPAC name is 4,5-dichloro-2-[(2E)-2-ethenylpenta-2,4-dienyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[(2E)-2-ethenylpenta-2,4-dienyl]pyridazin-3-one
PubChem CID145299025
Molecular FormulaC11H10Cl2N2O
Molecular Weight257.12 g/mol
Exact Mass256.02
IUPAC Name4,5-dichloro-2-[(2E)-2-ethenylpenta-2,4-dienyl]pyridazin-3-one
SMILESC=C/C=C(\C=C)Cn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C11H10Cl2N2O/c1-3-5-8(4-2)7-15-11(16)10(13)9(12)6-14-15/h3-6H,1-2,7H2/b8-5+
InChIKeySZSNUMDEERIWAY-VMPITWQZSA-N
XLogP2.85
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Allyl-4,5-dichloropyridazin-3(2H)-one
CID 10774590
4,5-dichloro-2-(2-methyl-2-propenyl)-3(2H)-pyridazinone
CID 23039515
4,5-Dichloro-2-(3-cyclohexa-1,5-dien-1-ylprop-2-enyl)pyridazin-3-one
CID 67903355
4,5-dichloro-2-[(1E,3Z)-3,4-dimethylhexa-1,3,5-trienyl]pyridazin-3-one
CID 118135790
4,5-dichloro-2-[(2Z,4Z)-5-methylhepta-2,4,6-trienyl]pyridazin-3-one
CID 126524354
4,5-Dichloro-2-(4,5-dimethylcyclohexa-2,4-dien-1-yl)pyridazin-3-one
CID 126535698
ethane;2-[(2E)-2-ethenylpenta-2,4-dienyl]-5-methylpyridazin-3-one
CID 145299053
4-Chloro-2-(2-methylprop-2-enyl)pyridazin-3-one
CID 151182962
4,5-Dichloro-2-hept-6-enylpyridazin-3-one
CID 107009996
2-[(E)-but-2-enyl]-4,5-dichloropyridazin-3-one
CID 114386487
4,5-Dichloro-2-(3-methylbut-3-enyl)pyridazin-3-one
CID 114447898
4,5-Dichloro-2-(3-methylbut-2-enyl)pyridazin-3-one
CID 115571194

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[(2E)-2-ethenylpenta-2,4-dienyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[(2E)-2-ethenylpenta-2,4-dienyl]pyridazin-3-one (CID 145299025) is 4,5-dichloro-2-[(2E)-2-ethenylpenta-2,4-dienyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[(2E)-2-ethenylpenta-2,4-dienyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[(2E)-2-ethenylpenta-2,4-dienyl]pyridazin-3-one is C=C/C=C(\C=C)Cn1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of 4,5-dichloro-2-[(2E)-2-ethenylpenta-2,4-dienyl]pyridazin-3-one?
The InChIKey is SZSNUMDEERIWAY-VMPITWQZSA-N. The full InChI is InChI=1S/C11H10Cl2N2O/c1-3-5-8(4-2)7-15-11(16)10(13)9(12)6-14-15/h3-6H,1-2,7H2/b8-5+.
What are the key properties of 4,5-dichloro-2-[(2E)-2-ethenylpenta-2,4-dienyl]pyridazin-3-one?
4,5-dichloro-2-[(2E)-2-ethenylpenta-2,4-dienyl]pyridazin-3-one has a molecular weight of 257.12 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[(2E)-2-ethenylpenta-2,4-dienyl]pyridazin-3-one is sourced from PubChem (CID 145299025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).