methyl N-(2,4-dimethylbenzene-5-id-1-yl)carbamate;tungsten

C10H12NO2W- — CID 59957630

IUPACmethyl N-(2,4-dimethylbenzene-5-id-1-yl)carbamate;tungsten
SMILESCOC(=O)Nc1c[c-]c(C)cc1C.[W]
InChIInChI=1S/C10H12NO2.W/c1-7-4-5-9(8(2)6-7)11-10(12)13-3;/h5-6H,1-3H3,(H,11,12);/q-1;
InChIKeyVJSKVTAYSAHSEX-UHFFFAOYSA-N
MW362.05 g/mol
LogP2.28
Rot. Bonds1

About methyl N-(2,4-dimethylbenzene-5-id-1-yl)carbamate;tungsten

methyl N-(2,4-dimethylbenzene-5-id-1-yl)carbamate;tungsten (PubChem CID 59957630) has the molecular formula C10H12NO2W- and a molecular weight of 362.05 g/mol. Its IUPAC name is methyl N-(2,4-dimethylbenzene-5-id-1-yl)carbamate;tungsten.

Molecular Properties

Compound Namemethyl N-(2,4-dimethylbenzene-5-id-1-yl)carbamate;tungsten
PubChem CID59957630
Molecular FormulaC10H12NO2W-
Molecular Weight362.05 g/mol
Exact Mass362.04
IUPAC Namemethyl N-(2,4-dimethylbenzene-5-id-1-yl)carbamate;tungsten
SMILESCOC(=O)Nc1c[c-]c(C)cc1C.[W]
InChIInChI=1S/C10H12NO2.W/c1-7-4-5-9(8(2)6-7)11-10(12)13-3;/h5-6H,1-3H3,(H,11,12);/q-1;
InChIKeyVJSKVTAYSAHSEX-UHFFFAOYSA-N
XLogP2.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.05
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N-(2,4-dimethylbenzene-5-id-1-yl)carbamate;tungsten?
The IUPAC name of methyl N-(2,4-dimethylbenzene-5-id-1-yl)carbamate;tungsten (CID 59957630) is methyl N-(2,4-dimethylbenzene-5-id-1-yl)carbamate;tungsten.
What is the SMILES notation for methyl N-(2,4-dimethylbenzene-5-id-1-yl)carbamate;tungsten?
The canonical SMILES for methyl N-(2,4-dimethylbenzene-5-id-1-yl)carbamate;tungsten is COC(=O)Nc1c[c-]c(C)cc1C.[W].
What is the InChIKey of methyl N-(2,4-dimethylbenzene-5-id-1-yl)carbamate;tungsten?
The InChIKey is VJSKVTAYSAHSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12NO2.W/c1-7-4-5-9(8(2)6-7)11-10(12)13-3;/h5-6H,1-3H3,(H,11,12);/q-1;.
What are the key properties of methyl N-(2,4-dimethylbenzene-5-id-1-yl)carbamate;tungsten?
methyl N-(2,4-dimethylbenzene-5-id-1-yl)carbamate;tungsten has a molecular weight of 362.05 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2,4-dimethylbenzene-5-id-1-yl)carbamate;tungsten is sourced from PubChem (CID 59957630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).