4-iodo-1,4-oxazine

C4H4INO — CID 154031811

IUPAC4-iodo-1,4-oxazine
SMILESIN1C=COC=C1
InChIInChI=1S/C4H4INO/c5-6-1-3-7-4-2-6/h1-4H
InChIKeyOLKUDDBNQYZWJT-UHFFFAOYSA-N
MW208.99 g/mol
LogP1.61
Rot. Bonds

About 4-iodo-1,4-oxazine

4-iodo-1,4-oxazine (PubChem CID 154031811) has the molecular formula C4H4INO and a molecular weight of 208.99 g/mol. Its IUPAC name is 4-iodo-1,4-oxazine.

Molecular Properties

Compound Name4-iodo-1,4-oxazine
PubChem CID154031811
Molecular FormulaC4H4INO
Molecular Weight208.99 g/mol
Exact Mass208.93
IUPAC Name4-iodo-1,4-oxazine
SMILESIN1C=COC=C1
InChIInChI=1S/C4H4INO/c5-6-1-3-7-4-2-6/h1-4H
InChIKeyOLKUDDBNQYZWJT-UHFFFAOYSA-N
XLogP1.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.99
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-1,4-oxazine?
The IUPAC name of 4-iodo-1,4-oxazine (CID 154031811) is 4-iodo-1,4-oxazine.
What is the SMILES notation for 4-iodo-1,4-oxazine?
The canonical SMILES for 4-iodo-1,4-oxazine is IN1C=COC=C1.
What is the InChIKey of 4-iodo-1,4-oxazine?
The InChIKey is OLKUDDBNQYZWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4INO/c5-6-1-3-7-4-2-6/h1-4H.
What are the key properties of 4-iodo-1,4-oxazine?
4-iodo-1,4-oxazine has a molecular weight of 208.99 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1,4-oxazine is sourced from PubChem (CID 154031811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).