2-[2-(chloromethyl)prop-2-enyl]pyridazin-3-one

C8H9ClN2O — CID 103065765

IUPAC2-[2-(chloromethyl)prop-2-enyl]pyridazin-3-one
SMILESC=C(CCl)Cn1ncccc1=O
InChIInChI=1S/C8H9ClN2O/c1-7(5-9)6-11-8(12)3-2-4-10-11/h2-4H,1,5-6H2
InChIKeyNBZGKOJLFUSDID-UHFFFAOYSA-N
MW184.63 g/mol
LogP1.04
Rot. Bonds3

About 2-[2-(chloromethyl)prop-2-enyl]pyridazin-3-one

2-[2-(chloromethyl)prop-2-enyl]pyridazin-3-one (PubChem CID 103065765) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is 2-[2-(chloromethyl)prop-2-enyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(chloromethyl)prop-2-enyl]pyridazin-3-one
PubChem CID103065765
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC Name2-[2-(chloromethyl)prop-2-enyl]pyridazin-3-one
SMILESC=C(CCl)Cn1ncccc1=O
InChIInChI=1S/C8H9ClN2O/c1-7(5-9)6-11-8(12)3-2-4-10-11/h2-4H,1,5-6H2
InChIKeyNBZGKOJLFUSDID-UHFFFAOYSA-N
XLogP1.04
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Chloroethyl)-3-pyridazone
CID 12554432
6-Chloro-2-(3-chloropropyl)pyridazin-3-one
CID 14343580
2-(3-Chloropropyl)pyridazin-3-one
CID 14343581
2-(2-Methylpropyl)pyridazin-3-one
CID 23018253
6-Chloro-2-(2-methylpropyl)pyridazin-3-one
CID 58125120
2-(2-Methylprop-2-enyl)pyridazin-3-one
CID 89140353
2-(2,2-Dimethylpropyl)pyridazin-3-one
CID 89850538
6-Chloro-2-ethyl-4-methylpyridazin-3-one
CID 137464265
4-(Chloromethyl)-2-(2-methylpropyl)pyridazin-3-one
CID 141026323
2-Butylpyridazin-3-one;hydrochloride
CID 141096012
2-(1lambda3-Chloracyclohex-6-en-3-yl)pyridazin-3-one
CID 141407508
4-Chloro-2-(2-methylprop-2-enyl)pyridazin-3-one
CID 151182962

Frequently Asked Questions

What is the IUPAC name of 2-[2-(chloromethyl)prop-2-enyl]pyridazin-3-one?
The IUPAC name of 2-[2-(chloromethyl)prop-2-enyl]pyridazin-3-one (CID 103065765) is 2-[2-(chloromethyl)prop-2-enyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-(chloromethyl)prop-2-enyl]pyridazin-3-one?
The canonical SMILES for 2-[2-(chloromethyl)prop-2-enyl]pyridazin-3-one is C=C(CCl)Cn1ncccc1=O.
What is the InChIKey of 2-[2-(chloromethyl)prop-2-enyl]pyridazin-3-one?
The InChIKey is NBZGKOJLFUSDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O/c1-7(5-9)6-11-8(12)3-2-4-10-11/h2-4H,1,5-6H2.
What are the key properties of 2-[2-(chloromethyl)prop-2-enyl]pyridazin-3-one?
2-[2-(chloromethyl)prop-2-enyl]pyridazin-3-one has a molecular weight of 184.63 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(chloromethyl)prop-2-enyl]pyridazin-3-one is sourced from PubChem (CID 103065765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).