methylamino N-carboniodidoylcarbamate

C3H5IN2O3 — CID 163815032

IUPACmethylamino N-carboniodidoylcarbamate
SMILESCNOC(=O)NC(=O)I
InChIInChI=1S/C3H5IN2O3/c1-5-9-3(8)6-2(4)7/h5H,1H3,(H,6,7,8)
InChIKeyNQORGBBPLCXFSJ-UHFFFAOYSA-N
MW243.99 g/mol
LogP0.40
Rot. Bonds1

About methylamino N-carboniodidoylcarbamate

methylamino N-carboniodidoylcarbamate (PubChem CID 163815032) has the molecular formula C3H5IN2O3 and a molecular weight of 243.99 g/mol. Its IUPAC name is methylamino N-carboniodidoylcarbamate.

Molecular Properties

Compound Namemethylamino N-carboniodidoylcarbamate
PubChem CID163815032
Molecular FormulaC3H5IN2O3
Molecular Weight243.99 g/mol
Exact Mass243.93
IUPAC Namemethylamino N-carboniodidoylcarbamate
SMILESCNOC(=O)NC(=O)I
InChIInChI=1S/C3H5IN2O3/c1-5-9-3(8)6-2(4)7/h5H,1H3,(H,6,7,8)
InChIKeyNQORGBBPLCXFSJ-UHFFFAOYSA-N
XLogP0.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.99
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methylamino N-carboniodidoylcarbamate?
The IUPAC name of methylamino N-carboniodidoylcarbamate (CID 163815032) is methylamino N-carboniodidoylcarbamate.
What is the SMILES notation for methylamino N-carboniodidoylcarbamate?
The canonical SMILES for methylamino N-carboniodidoylcarbamate is CNOC(=O)NC(=O)I.
What is the InChIKey of methylamino N-carboniodidoylcarbamate?
The InChIKey is NQORGBBPLCXFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5IN2O3/c1-5-9-3(8)6-2(4)7/h5H,1H3,(H,6,7,8).
What are the key properties of methylamino N-carboniodidoylcarbamate?
methylamino N-carboniodidoylcarbamate has a molecular weight of 243.99 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylamino N-carboniodidoylcarbamate is sourced from PubChem (CID 163815032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).