methyliodanuidyl N-methylcarbamate

C3H7INO2- — CID 146751906

IUPACmethyliodanuidyl N-methylcarbamate
SMILESCNC(=O)O[I-]C
InChIInChI=1S/C3H7INO2/c1-4-7-3(6)5-2/h1-2H3,(H,5,6)/q-1
InChIKeyOGNMHJBIETUWKK-UHFFFAOYSA-N
MW216.00 g/mol
LogP-3.02
Rot. Bonds1

About methyliodanuidyl N-methylcarbamate

methyliodanuidyl N-methylcarbamate (PubChem CID 146751906) has the molecular formula C3H7INO2- and a molecular weight of 216.00 g/mol. Its IUPAC name is methyliodanuidyl N-methylcarbamate.

Molecular Properties

Compound Namemethyliodanuidyl N-methylcarbamate
PubChem CID146751906
Molecular FormulaC3H7INO2-
Molecular Weight216.00 g/mol
Exact Mass215.95
IUPAC Namemethyliodanuidyl N-methylcarbamate
SMILESCNC(=O)O[I-]C
InChIInChI=1S/C3H7INO2/c1-4-7-3(6)5-2/h1-2H3,(H,5,6)/q-1
InChIKeyOGNMHJBIETUWKK-UHFFFAOYSA-N
XLogP-3.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.00
LogP ≤ 5-3.02
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'}

Analyze methyliodanuidyl N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;bis(methyl N-methylcarbamate)
CID 91355167
methane;bis(methyl N-methylcarbamate)
CID 159560145
aminosulfanyl N-methylcarbamate
CID 21435462
1-hydroxyethyl N-methylcarbamate
CID 21270273
tert-butyl N-methylcarbamate;ethane
CID 142957488
iodomethyl N-methylcarbamate
CID 88927146
1-methyl-3-methyliodanuidylurea
CID 147358367
methylurea;ruthenium
CID 159209634
methylcarbamoyloxymethylsulfanylmethyl N-methylcarbamate
CID 175278368
5-(methylcarbamoyloxy)pentyl N-methylcarbamate
CID 59800394
ethyl N-methylcarbamate;formaldehyde
CID 160650405
3-hydroxybutan-2-yl N-methylcarbamate
CID 55286008

Frequently Asked Questions

What is the IUPAC name of methyliodanuidyl N-methylcarbamate?
The IUPAC name of methyliodanuidyl N-methylcarbamate (CID 146751906) is methyliodanuidyl N-methylcarbamate.
What is the SMILES notation for methyliodanuidyl N-methylcarbamate?
The canonical SMILES for methyliodanuidyl N-methylcarbamate is CNC(=O)O[I-]C.
What is the InChIKey of methyliodanuidyl N-methylcarbamate?
The InChIKey is OGNMHJBIETUWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7INO2/c1-4-7-3(6)5-2/h1-2H3,(H,5,6)/q-1.
What are the key properties of methyliodanuidyl N-methylcarbamate?
methyliodanuidyl N-methylcarbamate has a molecular weight of 216.00 g/mol, XLogP of -3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyliodanuidyl N-methylcarbamate is sourced from PubChem (CID 146751906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).