2-(2-cyclopropylethyl)-5-iodopyridazin-3-one

C9H11IN2O — CID 114553362

IUPAC2-(2-cyclopropylethyl)-5-iodopyridazin-3-one
SMILESO=c1cc(I)cnn1CCC1CC1
InChIInChI=1S/C9H11IN2O/c10-8-5-9(13)12(11-6-8)4-3-7-1-2-7/h5-7H,1-4H2
InChIKeyMVFMKMKWHIQTJF-UHFFFAOYSA-N
MW290.10 g/mol
LogP1.65
Rot. Bonds3

About 2-(2-cyclopropylethyl)-5-iodopyridazin-3-one

2-(2-cyclopropylethyl)-5-iodopyridazin-3-one (PubChem CID 114553362) has the molecular formula C9H11IN2O and a molecular weight of 290.10 g/mol. Its IUPAC name is 2-(2-cyclopropylethyl)-5-iodopyridazin-3-one.

Molecular Properties

Compound Name2-(2-cyclopropylethyl)-5-iodopyridazin-3-one
PubChem CID114553362
Molecular FormulaC9H11IN2O
Molecular Weight290.10 g/mol
Exact Mass289.99
IUPAC Name2-(2-cyclopropylethyl)-5-iodopyridazin-3-one
SMILESO=c1cc(I)cnn1CCC1CC1
InChIInChI=1S/C9H11IN2O/c10-8-5-9(13)12(11-6-8)4-3-7-1-2-7/h5-7H,1-4H2
InChIKeyMVFMKMKWHIQTJF-UHFFFAOYSA-N
XLogP1.65
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.10
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(Cyclopropylmethyl)-2,3-dihydropyridazin-3-one
CID 72682825
2-(2-Cyclohexylethyl)-5-iodopyridazin-3-one
CID 117793727
5-Iodo-2-pentan-2-ylpyridazin-3-one
CID 107885709
5-Iodo-2-(3-methylbutyl)pyridazin-3-one
CID 114553309
2-Butyl-5-iodopyridazin-3-one
CID 114553313
2-Hexyl-5-iodopyridazin-3-one
CID 114553314
2-(2-Ethylhexyl)-5-iodopyridazin-3-one
CID 114553316
2-Heptyl-5-iodopyridazin-3-one
CID 114553370
2-(3,3-Dimethylbutyl)-5-iodopyridazin-3-one
CID 114553420
2-(Cyclopropylmethyl)-5-iodopyridazin-3-one
CID 114553423
5-Iodo-2-(2-methylprop-2-enyl)pyridazin-3-one
CID 114553431
5-Iodo-2-(2-methylpentyl)pyridazin-3-one
CID 114553437

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylethyl)-5-iodopyridazin-3-one?
The IUPAC name of 2-(2-cyclopropylethyl)-5-iodopyridazin-3-one (CID 114553362) is 2-(2-cyclopropylethyl)-5-iodopyridazin-3-one.
What is the SMILES notation for 2-(2-cyclopropylethyl)-5-iodopyridazin-3-one?
The canonical SMILES for 2-(2-cyclopropylethyl)-5-iodopyridazin-3-one is O=c1cc(I)cnn1CCC1CC1.
What is the InChIKey of 2-(2-cyclopropylethyl)-5-iodopyridazin-3-one?
The InChIKey is MVFMKMKWHIQTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN2O/c10-8-5-9(13)12(11-6-8)4-3-7-1-2-7/h5-7H,1-4H2.
What are the key properties of 2-(2-cyclopropylethyl)-5-iodopyridazin-3-one?
2-(2-cyclopropylethyl)-5-iodopyridazin-3-one has a molecular weight of 290.10 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylethyl)-5-iodopyridazin-3-one is sourced from PubChem (CID 114553362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).