carboniodidoyl(methyl)carbamic acid

C3H4INO3 — CID 154533505

IUPACcarboniodidoyl(methyl)carbamic acid
SMILESCN(C(=O)O)C(=O)I
InChIInChI=1S/C3H4INO3/c1-5(2(4)6)3(7)8/h1H3,(H,7,8)
InChIKeyYDEDRVMMUTXTTP-UHFFFAOYSA-N
MW228.97 g/mol
LogP1.15
Rot. Bonds

About carboniodidoyl(methyl)carbamic acid

carboniodidoyl(methyl)carbamic acid (PubChem CID 154533505) has the molecular formula C3H4INO3 and a molecular weight of 228.97 g/mol. Its IUPAC name is carboniodidoyl(methyl)carbamic acid.

Molecular Properties

Compound Namecarboniodidoyl(methyl)carbamic acid
PubChem CID154533505
Molecular FormulaC3H4INO3
Molecular Weight228.97 g/mol
Exact Mass228.92
IUPAC Namecarboniodidoyl(methyl)carbamic acid
SMILESCN(C(=O)O)C(=O)I
InChIInChI=1S/C3H4INO3/c1-5(2(4)6)3(7)8/h1H3,(H,7,8)
InChIKeyYDEDRVMMUTXTTP-UHFFFAOYSA-N
XLogP1.15
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.97
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Related Compounds

iodo(methyl)carbamic acid
CID 88640378
dimethylcarbamoyl(methyl)carbamic acid;hydrochloride
CID 88818109
dimethylcarbamic acid;ethane
CID 143338074
dimethylcarbamic acid;nickel
CID 87135907
methyl(phosphonocarbonyl)carbamic acid
CID 20520090
C2H6MgO3
CID 45051722
acetic acid
CID 158444727
sodium;acetic acid;N,N-dimethylmethanamine;hydride;methanol
CID 173381016
acetic acid;triiodosamarium
CID 174886027
methyl(pyrrole-1-carbonyl)carbamic acid
CID 70634798
[(4-chlorophenyl)-methylcarbamoyl]-methylcarbamic acid
CID 70531059
2,3-diaminopropanoyl(methyl)carbamic acid
CID 175867666

Frequently Asked Questions

What is the IUPAC name of carboniodidoyl(methyl)carbamic acid?
The IUPAC name of carboniodidoyl(methyl)carbamic acid (CID 154533505) is carboniodidoyl(methyl)carbamic acid.
What is the SMILES notation for carboniodidoyl(methyl)carbamic acid?
The canonical SMILES for carboniodidoyl(methyl)carbamic acid is CN(C(=O)O)C(=O)I.
What is the InChIKey of carboniodidoyl(methyl)carbamic acid?
The InChIKey is YDEDRVMMUTXTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4INO3/c1-5(2(4)6)3(7)8/h1H3,(H,7,8).
What are the key properties of carboniodidoyl(methyl)carbamic acid?
carboniodidoyl(methyl)carbamic acid has a molecular weight of 228.97 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carboniodidoyl(methyl)carbamic acid is sourced from PubChem (CID 154533505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).