(1E)-N,3-dihydroxypropanimidoyl iodide

C3H6INO2 — CID 90362404

IUPAC(1E)-N,3-dihydroxypropanimidoyl iodide
SMILESOCC/C(I)=N\O
InChIInChI=1S/C3H6INO2/c4-3(5-7)1-2-6/h6-7H,1-2H2/b5-3+
InChIKeyNYEWPAQVRVWEMS-HWKANZROSA-N
MW214.99 g/mol
LogP0.59
Rot. Bonds2

About (1E)-N,3-dihydroxypropanimidoyl iodide

(1E)-N,3-dihydroxypropanimidoyl iodide (PubChem CID 90362404) has the molecular formula C3H6INO2 and a molecular weight of 214.99 g/mol. Its IUPAC name is (1E)-N,3-dihydroxypropanimidoyl iodide.

Molecular Properties

Compound Name(1E)-N,3-dihydroxypropanimidoyl iodide
PubChem CID90362404
Molecular FormulaC3H6INO2
Molecular Weight214.99 g/mol
Exact Mass214.94
IUPAC Name(1E)-N,3-dihydroxypropanimidoyl iodide
SMILESOCC/C(I)=N\O
InChIInChI=1S/C3H6INO2/c4-3(5-7)1-2-6/h6-7H,1-2H2/b5-3+
InChIKeyNYEWPAQVRVWEMS-HWKANZROSA-N
XLogP0.59
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.99
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 (1E)-N,3-dihydroxypropanimidoyl iodide?
The IUPAC name of (1E)-N,3-dihydroxypropanimidoyl iodide (CID 90362404) is (1E)-N,3-dihydroxypropanimidoyl iodide.
What is the SMILES notation for (1E)-N,3-dihydroxypropanimidoyl iodide?
The canonical SMILES for (1E)-N,3-dihydroxypropanimidoyl iodide is OCC/C(I)=N\O.
What is the InChIKey of (1E)-N,3-dihydroxypropanimidoyl iodide?
The InChIKey is NYEWPAQVRVWEMS-HWKANZROSA-N. The full InChI is InChI=1S/C3H6INO2/c4-3(5-7)1-2-6/h6-7H,1-2H2/b5-3+.
What are the key properties of (1E)-N,3-dihydroxypropanimidoyl iodide?
(1E)-N,3-dihydroxypropanimidoyl iodide has a molecular weight of 214.99 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N,3-dihydroxypropanimidoyl iodide is sourced from PubChem (CID 90362404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).