iodo(methyl)carbamic acid

C2H4INO2 — CID 88640378

IUPACiodo(methyl)carbamic acid
SMILESCN(I)C(=O)O
InChIInChI=1S/C2H4INO2/c1-4(3)2(5)6/h1H3,(H,5,6)
InChIKeyKOMQSRUTEXMODV-UHFFFAOYSA-N
MW200.96 g/mol
LogP0.95
Rot. Bonds

About iodo(methyl)carbamic acid

iodo(methyl)carbamic acid (PubChem CID 88640378) has the molecular formula C2H4INO2 and a molecular weight of 200.96 g/mol. Its IUPAC name is iodo(methyl)carbamic acid.

Molecular Properties

Compound Nameiodo(methyl)carbamic acid
PubChem CID88640378
Molecular FormulaC2H4INO2
Molecular Weight200.96 g/mol
Exact Mass200.93
IUPAC Nameiodo(methyl)carbamic acid
SMILESCN(I)C(=O)O
InChIInChI=1S/C2H4INO2/c1-4(3)2(5)6/h1H3,(H,5,6)
InChIKeyKOMQSRUTEXMODV-UHFFFAOYSA-N
XLogP0.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.96
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dimethylcarbamic acid;ethane
CID 143338074
dimethylcarbamic acid;nickel
CID 87135907
carboniodidoyl(methyl)carbamic acid
CID 154533505
1-iodo-1,3-dimethyl-3-phosphanylurea
CID 143356978
carbonic acid;N-methyl-N-thionitrosomethanamine
CID 174593048
N-iodo-N-methylhydroxylamine
CID 59260427
carbamic acid;N,N-dimethylmethanamine
CID 173358065
methyl(methylsulfanyl)carbamic acid
CID 19961063
potassium 2-(dimethylamino)acetic acid
CID 59907824
N,N-dimethylacetamide;molecular iodine
CID 158534416
3-iodopropyl(methyl)carbamic acid
CID 21077788
aminosulfanyl(methyl)carbamic acid
CID 21481452

Frequently Asked Questions

What is the IUPAC name of iodo(methyl)carbamic acid?
The IUPAC name of iodo(methyl)carbamic acid (CID 88640378) is iodo(methyl)carbamic acid.
What is the SMILES notation for iodo(methyl)carbamic acid?
The canonical SMILES for iodo(methyl)carbamic acid is CN(I)C(=O)O.
What is the InChIKey of iodo(methyl)carbamic acid?
The InChIKey is KOMQSRUTEXMODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4INO2/c1-4(3)2(5)6/h1H3,(H,5,6).
What are the key properties of iodo(methyl)carbamic acid?
iodo(methyl)carbamic acid has a molecular weight of 200.96 g/mol, XLogP of 0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iodo(methyl)carbamic acid is sourced from PubChem (CID 88640378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).