(3-amino-4-iodobut-1-en-2-yl) hypoiodite

C4H7I2NO — CID 163848738

IUPAC(3-amino-4-iodobut-1-en-2-yl) hypoiodite
SMILESC=C(OI)C(N)CI
InChIInChI=1S/C4H7I2NO/c1-3(8-6)4(7)2-5/h4H,1-2,7H2
InChIKeyOSMCHYKPXRPEBE-UHFFFAOYSA-N
MW338.91 g/mol
LogP1.63
Rot. Bonds3

About (3-amino-4-iodobut-1-en-2-yl) hypoiodite

(3-amino-4-iodobut-1-en-2-yl) hypoiodite (PubChem CID 163848738) has the molecular formula C4H7I2NO and a molecular weight of 338.91 g/mol. Its IUPAC name is (3-amino-4-iodobut-1-en-2-yl) hypoiodite.

Molecular Properties

Compound Name(3-amino-4-iodobut-1-en-2-yl) hypoiodite
PubChem CID163848738
Molecular FormulaC4H7I2NO
Molecular Weight338.91 g/mol
Exact Mass338.86
IUPAC Name(3-amino-4-iodobut-1-en-2-yl) hypoiodite
SMILESC=C(OI)C(N)CI
InChIInChI=1S/C4H7I2NO/c1-3(8-6)4(7)2-5/h4H,1-2,7H2
InChIKeyOSMCHYKPXRPEBE-UHFFFAOYSA-N
XLogP1.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.91
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-amino-4-iodobut-1-en-2-yl) hypoiodite?
The IUPAC name of (3-amino-4-iodobut-1-en-2-yl) hypoiodite (CID 163848738) is (3-amino-4-iodobut-1-en-2-yl) hypoiodite.
What is the SMILES notation for (3-amino-4-iodobut-1-en-2-yl) hypoiodite?
The canonical SMILES for (3-amino-4-iodobut-1-en-2-yl) hypoiodite is C=C(OI)C(N)CI.
What is the InChIKey of (3-amino-4-iodobut-1-en-2-yl) hypoiodite?
The InChIKey is OSMCHYKPXRPEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7I2NO/c1-3(8-6)4(7)2-5/h4H,1-2,7H2.
What are the key properties of (3-amino-4-iodobut-1-en-2-yl) hypoiodite?
(3-amino-4-iodobut-1-en-2-yl) hypoiodite has a molecular weight of 338.91 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-iodobut-1-en-2-yl) hypoiodite is sourced from PubChem (CID 163848738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).