5-[(E)-2-chloroethenyl]-2-methylpyridazin-3-one

C7H7ClN2O — CID 102397733

IUPAC5-[(E)-2-chloroethenyl]-2-methylpyridazin-3-one
SMILESCn1ncc(/C=C/Cl)cc1=O
InChIInChI=1S/C7H7ClN2O/c1-10-7(11)4-6(2-3-8)5-9-10/h2-5H,1H3/b3-2+
InChIKeyYXWWDDLFBHLURJ-NSCUHMNNSA-N
MW170.60 g/mol
LogP0.99
Rot. Bonds1

About 5-[(E)-2-chloroethenyl]-2-methylpyridazin-3-one

5-[(E)-2-chloroethenyl]-2-methylpyridazin-3-one (PubChem CID 102397733) has the molecular formula C7H7ClN2O and a molecular weight of 170.60 g/mol. Its IUPAC name is 5-[(E)-2-chloroethenyl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-[(E)-2-chloroethenyl]-2-methylpyridazin-3-one
PubChem CID102397733
Molecular FormulaC7H7ClN2O
Molecular Weight170.60 g/mol
Exact Mass170.02
IUPAC Name5-[(E)-2-chloroethenyl]-2-methylpyridazin-3-one
SMILESCn1ncc(/C=C/Cl)cc1=O
InChIInChI=1S/C7H7ClN2O/c1-10-7(11)4-6(2-3-8)5-9-10/h2-5H,1H3/b3-2+
InChIKeyYXWWDDLFBHLURJ-NSCUHMNNSA-N
XLogP0.99
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.60
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(Z)-2-chloroethenyl]-2-methylpyridazin-3-one
CID 102397732
2-methyl-5-vinylpyridazin-3(2H)-one
CID 71418081
Ethane;2-methyl-5-(2-oxoethenyl)pyridazin-3-one
CID 171833307
5-(Chloromethyl)-2-methylpyridazin-3-one
CID 171833340
2-(2-Chloroethyl)-5-methylpyridazin-3-one
CID 106548480
2-[(E)-4-chlorobut-2-enyl]-5-methylpyridazin-3-one
CID 106548493
2-Methyl-5-(2-oxoethenyl)pyridazin-3-one
CID 171833308

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-chloroethenyl]-2-methylpyridazin-3-one?
The IUPAC name of 5-[(E)-2-chloroethenyl]-2-methylpyridazin-3-one (CID 102397733) is 5-[(E)-2-chloroethenyl]-2-methylpyridazin-3-one.
What is the SMILES notation for 5-[(E)-2-chloroethenyl]-2-methylpyridazin-3-one?
The canonical SMILES for 5-[(E)-2-chloroethenyl]-2-methylpyridazin-3-one is Cn1ncc(/C=C/Cl)cc1=O.
What is the InChIKey of 5-[(E)-2-chloroethenyl]-2-methylpyridazin-3-one?
The InChIKey is YXWWDDLFBHLURJ-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H7ClN2O/c1-10-7(11)4-6(2-3-8)5-9-10/h2-5H,1H3/b3-2+.
What are the key properties of 5-[(E)-2-chloroethenyl]-2-methylpyridazin-3-one?
5-[(E)-2-chloroethenyl]-2-methylpyridazin-3-one has a molecular weight of 170.60 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-chloroethenyl]-2-methylpyridazin-3-one is sourced from PubChem (CID 102397733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).