5-iodo-2-(2-methoxycyclopentyl)pyridazin-3-one

C10H13IN2O2 — CID 130586918

IUPAC5-iodo-2-(2-methoxycyclopentyl)pyridazin-3-one
SMILESCOC1CCCC1n1ncc(I)cc1=O
InChIInChI=1S/C10H13IN2O2/c1-15-9-4-2-3-8(9)13-10(14)5-7(11)6-12-13/h5-6,8-9H,2-4H2,1H3
InChIKeyPDAXLFOAYNHNGB-UHFFFAOYSA-N
MW320.13 g/mol
LogP1.59
Rot. Bonds2

About 5-iodo-2-(2-methoxycyclopentyl)pyridazin-3-one

5-iodo-2-(2-methoxycyclopentyl)pyridazin-3-one (PubChem CID 130586918) has the molecular formula C10H13IN2O2 and a molecular weight of 320.13 g/mol. Its IUPAC name is 5-iodo-2-(2-methoxycyclopentyl)pyridazin-3-one.

Molecular Properties

Compound Name5-iodo-2-(2-methoxycyclopentyl)pyridazin-3-one
PubChem CID130586918
Molecular FormulaC10H13IN2O2
Molecular Weight320.13 g/mol
Exact Mass320.00
IUPAC Name5-iodo-2-(2-methoxycyclopentyl)pyridazin-3-one
SMILESCOC1CCCC1n1ncc(I)cc1=O
InChIInChI=1S/C10H13IN2O2/c1-15-9-4-2-3-8(9)13-10(14)5-7(11)6-12-13/h5-6,8-9H,2-4H2,1H3
InChIKeyPDAXLFOAYNHNGB-UHFFFAOYSA-N
XLogP1.59
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.13
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-Iodo-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one
CID 103136855
2-[(1S,2S)-2-hydroxycyclopentyl]-5-methylpyridazin-3-one
CID 106548846
2-[(5,5-Dimethyloxolan-2-yl)methyl]-5-iodopyridazin-3-one
CID 114553300
5-Iodo-2-(oxolan-2-ylmethyl)pyridazin-3-one
CID 114553332

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(2-methoxycyclopentyl)pyridazin-3-one?
The IUPAC name of 5-iodo-2-(2-methoxycyclopentyl)pyridazin-3-one (CID 130586918) is 5-iodo-2-(2-methoxycyclopentyl)pyridazin-3-one.
What is the SMILES notation for 5-iodo-2-(2-methoxycyclopentyl)pyridazin-3-one?
The canonical SMILES for 5-iodo-2-(2-methoxycyclopentyl)pyridazin-3-one is COC1CCCC1n1ncc(I)cc1=O.
What is the InChIKey of 5-iodo-2-(2-methoxycyclopentyl)pyridazin-3-one?
The InChIKey is PDAXLFOAYNHNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2O2/c1-15-9-4-2-3-8(9)13-10(14)5-7(11)6-12-13/h5-6,8-9H,2-4H2,1H3.
What are the key properties of 5-iodo-2-(2-methoxycyclopentyl)pyridazin-3-one?
5-iodo-2-(2-methoxycyclopentyl)pyridazin-3-one has a molecular weight of 320.13 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(2-methoxycyclopentyl)pyridazin-3-one is sourced from PubChem (CID 130586918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).