[(E)-[2-(methylamino)-3-oxobutylidene]amino] hypoiodite

C5H9IN2O2 — CID 172961574

IUPAC[(E)-[2-(methylamino)-3-oxobutylidene]amino] hypoiodite
SMILESCNC(/C=N/OI)C(C)=O
InChIInChI=1S/C5H9IN2O2/c1-4(9)5(7-2)3-8-10-6/h3,5,7H,1-2H3/b8-3+
InChIKeyZDHOIVAHKWFNSL-FPYGCLRLSA-N
MW256.04 g/mol
LogP0.52
Rot. Bonds4

About [(E)-[2-(methylamino)-3-oxobutylidene]amino] hypoiodite

[(E)-[2-(methylamino)-3-oxobutylidene]amino] hypoiodite (PubChem CID 172961574) has the molecular formula C5H9IN2O2 and a molecular weight of 256.04 g/mol. Its IUPAC name is [(E)-[2-(methylamino)-3-oxobutylidene]amino] hypoiodite.

Molecular Properties

Compound Name[(E)-[2-(methylamino)-3-oxobutylidene]amino] hypoiodite
PubChem CID172961574
Molecular FormulaC5H9IN2O2
Molecular Weight256.04 g/mol
Exact Mass255.97
IUPAC Name[(E)-[2-(methylamino)-3-oxobutylidene]amino] hypoiodite
SMILESCNC(/C=N/OI)C(C)=O
InChIInChI=1S/C5H9IN2O2/c1-4(9)5(7-2)3-8-10-6/h3,5,7H,1-2H3/b8-3+
InChIKeyZDHOIVAHKWFNSL-FPYGCLRLSA-N
XLogP0.52
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.04
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-[2-(methylamino)-3-oxobutylidene]amino] hypoiodite?
The IUPAC name of [(E)-[2-(methylamino)-3-oxobutylidene]amino] hypoiodite (CID 172961574) is [(E)-[2-(methylamino)-3-oxobutylidene]amino] hypoiodite.
What is the SMILES notation for [(E)-[2-(methylamino)-3-oxobutylidene]amino] hypoiodite?
The canonical SMILES for [(E)-[2-(methylamino)-3-oxobutylidene]amino] hypoiodite is CNC(/C=N/OI)C(C)=O.
What is the InChIKey of [(E)-[2-(methylamino)-3-oxobutylidene]amino] hypoiodite?
The InChIKey is ZDHOIVAHKWFNSL-FPYGCLRLSA-N. The full InChI is InChI=1S/C5H9IN2O2/c1-4(9)5(7-2)3-8-10-6/h3,5,7H,1-2H3/b8-3+.
What are the key properties of [(E)-[2-(methylamino)-3-oxobutylidene]amino] hypoiodite?
[(E)-[2-(methylamino)-3-oxobutylidene]amino] hypoiodite has a molecular weight of 256.04 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[2-(methylamino)-3-oxobutylidene]amino] hypoiodite is sourced from PubChem (CID 172961574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).