5-iodo-2-[3-(oxolan-2-yl)propyl]pyridazin-3-one

C11H15IN2O2 — CID 114553357

IUPAC5-iodo-2-[3-(oxolan-2-yl)propyl]pyridazin-3-one
SMILESO=c1cc(I)cnn1CCCC1CCCO1
InChIInChI=1S/C11H15IN2O2/c12-9-7-11(15)14(13-8-9)5-1-3-10-4-2-6-16-10/h7-8,10H,1-6H2
InChIKeyGVQIMOBUYUTFJR-UHFFFAOYSA-N
MW334.16 g/mol
LogP1.81
Rot. Bonds4

About 5-iodo-2-[3-(oxolan-2-yl)propyl]pyridazin-3-one

5-iodo-2-[3-(oxolan-2-yl)propyl]pyridazin-3-one (PubChem CID 114553357) has the molecular formula C11H15IN2O2 and a molecular weight of 334.16 g/mol. Its IUPAC name is 5-iodo-2-[3-(oxolan-2-yl)propyl]pyridazin-3-one.

Molecular Properties

Compound Name5-iodo-2-[3-(oxolan-2-yl)propyl]pyridazin-3-one
PubChem CID114553357
Molecular FormulaC11H15IN2O2
Molecular Weight334.16 g/mol
Exact Mass334.02
IUPAC Name5-iodo-2-[3-(oxolan-2-yl)propyl]pyridazin-3-one
SMILESO=c1cc(I)cnn1CCCC1CCCO1
InChIInChI=1S/C11H15IN2O2/c12-9-7-11(15)14(13-8-9)5-1-3-10-4-2-6-16-10/h7-8,10H,1-6H2
InChIKeyGVQIMOBUYUTFJR-UHFFFAOYSA-N
XLogP1.81
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 51.81
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
5-Iodo-2-(oxan-2-ylmethyl)pyridazin-3-one
CID 114553306
5-Iodo-2-(oxolan-2-ylmethyl)pyridazin-3-one
CID 114553332
5-Iodo-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one
CID 114553354
5-Iodo-2-(oxolan-2-yl)pyridazin-3-one
CID 119054386
5-iodo-2-[(2R)-oxolan-2-yl]pyridazin-3-one
CID 124747298
5-iodo-2-[(2S)-oxolan-2-yl]pyridazin-3-one
CID 124747299

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-[3-(oxolan-2-yl)propyl]pyridazin-3-one?
The IUPAC name of 5-iodo-2-[3-(oxolan-2-yl)propyl]pyridazin-3-one (CID 114553357) is 5-iodo-2-[3-(oxolan-2-yl)propyl]pyridazin-3-one.
What is the SMILES notation for 5-iodo-2-[3-(oxolan-2-yl)propyl]pyridazin-3-one?
The canonical SMILES for 5-iodo-2-[3-(oxolan-2-yl)propyl]pyridazin-3-one is O=c1cc(I)cnn1CCCC1CCCO1.
What is the InChIKey of 5-iodo-2-[3-(oxolan-2-yl)propyl]pyridazin-3-one?
The InChIKey is GVQIMOBUYUTFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2O2/c12-9-7-11(15)14(13-8-9)5-1-3-10-4-2-6-16-10/h7-8,10H,1-6H2.
What are the key properties of 5-iodo-2-[3-(oxolan-2-yl)propyl]pyridazin-3-one?
5-iodo-2-[3-(oxolan-2-yl)propyl]pyridazin-3-one has a molecular weight of 334.16 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-[3-(oxolan-2-yl)propyl]pyridazin-3-one is sourced from PubChem (CID 114553357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).