2-(2-chloroprop-2-enyl)-6-methoxypyridazin-3-one

C8H9ClN2O2 — CID 130676496

IUPAC2-(2-chloroprop-2-enyl)-6-methoxypyridazin-3-one
SMILESC=C(Cl)Cn1nc(OC)ccc1=O
InChIInChI=1S/C8H9ClN2O2/c1-6(9)5-11-8(12)4-3-7(10-11)13-2/h3-4H,1,5H2,2H3
InChIKeyUZATVGCSSUNYKP-UHFFFAOYSA-N
MW200.62 g/mol
LogP1.00
Rot. Bonds3

About 2-(2-chloroprop-2-enyl)-6-methoxypyridazin-3-one

2-(2-chloroprop-2-enyl)-6-methoxypyridazin-3-one (PubChem CID 130676496) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.62 g/mol. Its IUPAC name is 2-(2-chloroprop-2-enyl)-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-(2-chloroprop-2-enyl)-6-methoxypyridazin-3-one
PubChem CID130676496
Molecular FormulaC8H9ClN2O2
Molecular Weight200.62 g/mol
Exact Mass200.04
IUPAC Name2-(2-chloroprop-2-enyl)-6-methoxypyridazin-3-one
SMILESC=C(Cl)Cn1nc(OC)ccc1=O
InChIInChI=1S/C8H9ClN2O2/c1-6(9)5-11-8(12)4-3-7(10-11)13-2/h3-4H,1,5H2,2H3
InChIKeyUZATVGCSSUNYKP-UHFFFAOYSA-N
XLogP1.00
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-3-methoxy-6-pyridazone
CID 96429
2-Allyl-6-allyloxy-3-pyridazone
CID 12843594
2-(2-Chloroethyl)-6-(4-methoxy)-3(2h)-pyridazinone
CID 105061595
Trifluoro-[3-(3-methoxy-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide
CID 106746484
2-(2-Cyanoethyl)-2,3-dihydro-6-methoxy-3-oxopyridazine
CID 587495
6-Methoxy-2-propylpyridazin-3-one
CID 131085900
6-Chloro-2-ethylpyridazin-3-one;ethene
CID 157406705
4-Chloro-6-methoxy-2-methylpyridazin-3-one
CID 14913882
2-[2-(Chloromethyl)prop-2-enyl]-6-methoxypyridazin-3-one
CID 103065898
2-(3-Chloropropyl)-6-methoxypyridazin-3-one
CID 105061588
2-(4-Chlorobutyl)-6-methoxypyridazin-3-one
CID 105061589
2-(3-Chloro-2-methylpropyl)-6-methoxypyridazin-3-one
CID 105061602

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroprop-2-enyl)-6-methoxypyridazin-3-one?
The IUPAC name of 2-(2-chloroprop-2-enyl)-6-methoxypyridazin-3-one (CID 130676496) is 2-(2-chloroprop-2-enyl)-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-(2-chloroprop-2-enyl)-6-methoxypyridazin-3-one?
The canonical SMILES for 2-(2-chloroprop-2-enyl)-6-methoxypyridazin-3-one is C=C(Cl)Cn1nc(OC)ccc1=O.
What is the InChIKey of 2-(2-chloroprop-2-enyl)-6-methoxypyridazin-3-one?
The InChIKey is UZATVGCSSUNYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c1-6(9)5-11-8(12)4-3-7(10-11)13-2/h3-4H,1,5H2,2H3.
What are the key properties of 2-(2-chloroprop-2-enyl)-6-methoxypyridazin-3-one?
2-(2-chloroprop-2-enyl)-6-methoxypyridazin-3-one has a molecular weight of 200.62 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroprop-2-enyl)-6-methoxypyridazin-3-one is sourced from PubChem (CID 130676496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).