ethyl N-iodocarbamate

C3H6INO2 — CID 21443578

IUPACethyl N-iodocarbamate
SMILESCCOC(=O)NI
InChIInChI=1S/C3H6INO2/c1-2-7-3(6)5-4/h2H2,1H3,(H,5,6)
InChIKeyWUCWOFSWAPVLIU-UHFFFAOYSA-N
MW214.99 g/mol
LogP1.08
Rot. Bonds1

About ethyl N-iodocarbamate

ethyl N-iodocarbamate (PubChem CID 21443578) has the molecular formula C3H6INO2 and a molecular weight of 214.99 g/mol. Its IUPAC name is ethyl N-iodocarbamate.

Molecular Properties

Compound Nameethyl N-iodocarbamate
PubChem CID21443578
Molecular FormulaC3H6INO2
Molecular Weight214.99 g/mol
Exact Mass214.94
IUPAC Nameethyl N-iodocarbamate
SMILESCCOC(=O)NI
InChIInChI=1S/C3H6INO2/c1-2-7-3(6)5-4/h2H2,1H3,(H,5,6)
InChIKeyWUCWOFSWAPVLIU-UHFFFAOYSA-N
XLogP1.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.99
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N-ethoxycarbonylcarbamothioate
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ethyl N-propylcarbamate
CID 12199

Frequently Asked Questions

What is the IUPAC name of ethyl N-iodocarbamate?
The IUPAC name of ethyl N-iodocarbamate (CID 21443578) is ethyl N-iodocarbamate.
What is the SMILES notation for ethyl N-iodocarbamate?
The canonical SMILES for ethyl N-iodocarbamate is CCOC(=O)NI.
What is the InChIKey of ethyl N-iodocarbamate?
The InChIKey is WUCWOFSWAPVLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6INO2/c1-2-7-3(6)5-4/h2H2,1H3,(H,5,6).
What are the key properties of ethyl N-iodocarbamate?
ethyl N-iodocarbamate has a molecular weight of 214.99 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-iodocarbamate is sourced from PubChem (CID 21443578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).