iodomethyl N-methylcarbamate

C3H6INO2 — CID 88927146

IUPACiodomethyl N-methylcarbamate
SMILESCNC(=O)OCI
InChIInChI=1S/C3H6INO2/c1-5-3(6)7-2-4/h2H2,1H3,(H,5,6)
InChIKeyRLXIFBPBPQCBTB-UHFFFAOYSA-N
MW214.99 g/mol
LogP0.73
Rot. Bonds1

About iodomethyl N-methylcarbamate

iodomethyl N-methylcarbamate (PubChem CID 88927146) has the molecular formula C3H6INO2 and a molecular weight of 214.99 g/mol. Its IUPAC name is iodomethyl N-methylcarbamate.

Molecular Properties

Compound Nameiodomethyl N-methylcarbamate
PubChem CID88927146
Molecular FormulaC3H6INO2
Molecular Weight214.99 g/mol
Exact Mass214.94
IUPAC Nameiodomethyl N-methylcarbamate
SMILESCNC(=O)OCI
InChIInChI=1S/C3H6INO2/c1-5-3(6)7-2-4/h2H2,1H3,(H,5,6)
InChIKeyRLXIFBPBPQCBTB-UHFFFAOYSA-N
XLogP0.73
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 ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-iodoethoxy)ethoxy]ethyl N-methylcarbamate
CID 158533955
iodomethyl N-propan-2-ylcarbamate
CID 86715162
2-(methylcarbamoyloxymethyl)butyl N-methylcarbamate
CID 91246070
5-(methylcarbamoyloxy)pentyl N-methylcarbamate
CID 59800394
methylcarbamoyloxymethylsulfanylmethyl N-methylcarbamate
CID 175278368
ethyl N-methylcarbamate;formaldehyde
CID 160650405
ethane;propyl N-methylcarbamate
CID 142560404
molecular hydrogen;2-oxopropyl N-methylcarbamate
CID 163964571
2-sulfanylideneethyl N-methylcarbamate
CID 22381418
2-(methylcarbamoyloxy)ethyl 2-methylbutanoate
CID 160943792
2,2-bis(methylcarbamoyloxymethyl)butyl N-methylcarbamate
CID 59137176
2-(methylcarbamoyloxy)propyl N-methylcarbamate
CID 129287341

Frequently Asked Questions

What is the IUPAC name of iodomethyl N-methylcarbamate?
The IUPAC name of iodomethyl N-methylcarbamate (CID 88927146) is iodomethyl N-methylcarbamate.
What is the SMILES notation for iodomethyl N-methylcarbamate?
The canonical SMILES for iodomethyl N-methylcarbamate is CNC(=O)OCI.
What is the InChIKey of iodomethyl N-methylcarbamate?
The InChIKey is RLXIFBPBPQCBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6INO2/c1-5-3(6)7-2-4/h2H2,1H3,(H,5,6).
What are the key properties of iodomethyl N-methylcarbamate?
iodomethyl N-methylcarbamate has a molecular weight of 214.99 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iodomethyl N-methylcarbamate is sourced from PubChem (CID 88927146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).