N-(2-hydroxyacetyl)carbamoyl iodide

C3H4INO3 — CID 88991853

IUPACN-(2-hydroxyacetyl)carbamoyl iodide
SMILESO=C(I)NC(=O)CO
InChIInChI=1S/C3H4INO3/c4-3(8)5-2(7)1-6/h6H,1H2,(H,5,7,8)
InChIKeyOUOJYCOQDYWYHI-UHFFFAOYSA-N
MW228.97 g/mol
LogP-0.35
Rot. Bonds1

About N-(2-hydroxyacetyl)carbamoyl iodide

N-(2-hydroxyacetyl)carbamoyl iodide (PubChem CID 88991853) has the molecular formula C3H4INO3 and a molecular weight of 228.97 g/mol. Its IUPAC name is N-(2-hydroxyacetyl)carbamoyl iodide.

Molecular Properties

Compound NameN-(2-hydroxyacetyl)carbamoyl iodide
PubChem CID88991853
Molecular FormulaC3H4INO3
Molecular Weight228.97 g/mol
Exact Mass228.92
IUPAC NameN-(2-hydroxyacetyl)carbamoyl iodide
SMILESO=C(I)NC(=O)CO
InChIInChI=1S/C3H4INO3/c4-3(8)5-2(7)1-6/h6H,1H2,(H,5,7,8)
InChIKeyOUOJYCOQDYWYHI-UHFFFAOYSA-N
XLogP-0.35
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.97
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyacetyl)carbamoyl iodide?
The IUPAC name of N-(2-hydroxyacetyl)carbamoyl iodide (CID 88991853) is N-(2-hydroxyacetyl)carbamoyl iodide.
What is the SMILES notation for N-(2-hydroxyacetyl)carbamoyl iodide?
The canonical SMILES for N-(2-hydroxyacetyl)carbamoyl iodide is O=C(I)NC(=O)CO.
What is the InChIKey of N-(2-hydroxyacetyl)carbamoyl iodide?
The InChIKey is OUOJYCOQDYWYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4INO3/c4-3(8)5-2(7)1-6/h6H,1H2,(H,5,7,8).
What are the key properties of N-(2-hydroxyacetyl)carbamoyl iodide?
N-(2-hydroxyacetyl)carbamoyl iodide has a molecular weight of 228.97 g/mol, XLogP of -0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyacetyl)carbamoyl iodide is sourced from PubChem (CID 88991853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).