2-but-3-enyl-4,5-dichloropyridazin-3-one

C8H8Cl2N2O — CID 115642291

IUPAC2-but-3-enyl-4,5-dichloropyridazin-3-one
SMILESC=CCCn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C8H8Cl2N2O/c1-2-3-4-12-8(13)7(10)6(9)5-11-12/h2,5H,1,3-4H2
InChIKeyZPDGMISHAOEKTI-UHFFFAOYSA-N
MW219.07 g/mol
LogP2.13
Rot. Bonds3

About 2-but-3-enyl-4,5-dichloropyridazin-3-one

2-but-3-enyl-4,5-dichloropyridazin-3-one (PubChem CID 115642291) has the molecular formula C8H8Cl2N2O and a molecular weight of 219.07 g/mol. Its IUPAC name is 2-but-3-enyl-4,5-dichloropyridazin-3-one.

Molecular Properties

Compound Name2-but-3-enyl-4,5-dichloropyridazin-3-one
PubChem CID115642291
Molecular FormulaC8H8Cl2N2O
Molecular Weight219.07 g/mol
Exact Mass218.00
IUPAC Name2-but-3-enyl-4,5-dichloropyridazin-3-one
SMILESC=CCCn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C8H8Cl2N2O/c1-2-3-4-12-8(13)7(10)6(9)5-11-12/h2,5H,1,3-4H2
InChIKeyZPDGMISHAOEKTI-UHFFFAOYSA-N
XLogP2.13
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.07
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3(2H)-Pyridazinone, 4,5-dichloro-2-(3-(dimethylamino)propyl)-, monohydrochloride
CID 209861
3(2H)-Pyridazinone, 4,5-dichloro-2-propyl-
CID 10655922
4,5-Dichloro-2-[3-(dimethylamino)propyl]pyridazin-3-one
CID 209862
2-Allyl-4,5-dichloropyridazin-3(2H)-one
CID 10774590
2-Butyl-4,5-dichloropyridazin-3(2H)-one
CID 12351831
2-(2-chloro-2-methylpropyl)-4,5-dichloro-3(2H)-pyridazinone
CID 23039512
4,5-dichloro-2-(2-methyl-2-propenyl)-3(2H)-pyridazinone
CID 23039515
4,5-Dichloro-2-(2-methylpropyl)pyridazin-3-one
CID 43089702
2-Butan-2-yl-4,5-dichloropyridazin-3-one
CID 61272264
4-Chloro-2-prop-2-enylpyridazin-3-one
CID 66750416
4,5-Dichloro-2-(3-cyclohexa-1,5-dien-1-ylprop-2-enyl)pyridazin-3-one
CID 67903355
4,5-Dichloro-2-(2,2-dimethylpropyl)pyridazin-3-one
CID 86127583

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enyl-4,5-dichloropyridazin-3-one?
The IUPAC name of 2-but-3-enyl-4,5-dichloropyridazin-3-one (CID 115642291) is 2-but-3-enyl-4,5-dichloropyridazin-3-one.
What is the SMILES notation for 2-but-3-enyl-4,5-dichloropyridazin-3-one?
The canonical SMILES for 2-but-3-enyl-4,5-dichloropyridazin-3-one is C=CCCn1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of 2-but-3-enyl-4,5-dichloropyridazin-3-one?
The InChIKey is ZPDGMISHAOEKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2O/c1-2-3-4-12-8(13)7(10)6(9)5-11-12/h2,5H,1,3-4H2.
What are the key properties of 2-but-3-enyl-4,5-dichloropyridazin-3-one?
2-but-3-enyl-4,5-dichloropyridazin-3-one has a molecular weight of 219.07 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-4,5-dichloropyridazin-3-one is sourced from PubChem (CID 115642291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).