diiodovanadium;methyl N,N-dimethylcarbamate

C4H9I2NO2V — CID 159062292

IUPACdiiodovanadium;methyl N,N-dimethylcarbamate
SMILESCOC(=O)N(C)C.I[V]I
InChIInChI=1S/C4H9NO2.2HI.V/c1-5(2)4(6)7-3;;;/h1-3H3;2*1H;/q;;;+2/p-2
InChIKeyJYPUUPZJSIHLBH-UHFFFAOYSA-L
MW407.87 g/mol
LogP2.08
Rot. Bonds

About diiodovanadium;methyl N,N-dimethylcarbamate

diiodovanadium;methyl N,N-dimethylcarbamate (PubChem CID 159062292) has the molecular formula C4H9I2NO2V and a molecular weight of 407.87 g/mol. Its IUPAC name is diiodovanadium;methyl N,N-dimethylcarbamate.

Molecular Properties

Compound Namediiodovanadium;methyl N,N-dimethylcarbamate
PubChem CID159062292
Molecular FormulaC4H9I2NO2V
Molecular Weight407.87 g/mol
Exact Mass407.82
IUPAC Namediiodovanadium;methyl N,N-dimethylcarbamate
SMILESCOC(=O)N(C)C.I[V]I
InChIInChI=1S/C4H9NO2.2HI.V/c1-5(2)4(6)7-3;;;/h1-3H3;2*1H;/q;;;+2/p-2
InChIKeyJYPUUPZJSIHLBH-UHFFFAOYSA-L
XLogP2.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.87
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diiodovanadium;methyl N,N-dimethylcarbamate?
The IUPAC name of diiodovanadium;methyl N,N-dimethylcarbamate (CID 159062292) is diiodovanadium;methyl N,N-dimethylcarbamate.
What is the SMILES notation for diiodovanadium;methyl N,N-dimethylcarbamate?
The canonical SMILES for diiodovanadium;methyl N,N-dimethylcarbamate is COC(=O)N(C)C.I[V]I.
What is the InChIKey of diiodovanadium;methyl N,N-dimethylcarbamate?
The InChIKey is JYPUUPZJSIHLBH-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H9NO2.2HI.V/c1-5(2)4(6)7-3;;;/h1-3H3;2*1H;/q;;;+2/p-2.
What are the key properties of diiodovanadium;methyl N,N-dimethylcarbamate?
diiodovanadium;methyl N,N-dimethylcarbamate has a molecular weight of 407.87 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diiodovanadium;methyl N,N-dimethylcarbamate is sourced from PubChem (CID 159062292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).