[2-(dimethylcarbamoyl)phenyl] cyanate

C10H10N2O2 — CID 163835020

IUPAC[2-(dimethylcarbamoyl)phenyl] cyanate
SMILESCN(C)C(=O)c1ccccc1OC#N
InChIInChI=1S/C10H10N2O2/c1-12(2)10(13)8-5-3-4-6-9(8)14-7-11/h3-6H,1-2H3
InChIKeyOGZPYYGQYOMTKJ-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.25
Rot. Bonds2

About [2-(dimethylcarbamoyl)phenyl] cyanate

[2-(dimethylcarbamoyl)phenyl] cyanate (PubChem CID 163835020) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is [2-(dimethylcarbamoyl)phenyl] cyanate.

Molecular Properties

Compound Name[2-(dimethylcarbamoyl)phenyl] cyanate
PubChem CID163835020
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name[2-(dimethylcarbamoyl)phenyl] cyanate
SMILESCN(C)C(=O)c1ccccc1OC#N
InChIInChI=1S/C10H10N2O2/c1-12(2)10(13)8-5-3-4-6-9(8)14-7-11/h3-6H,1-2H3
InChIKeyOGZPYYGQYOMTKJ-UHFFFAOYSA-N
XLogP1.25
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Analyze [2-(dimethylcarbamoyl)phenyl] cyanate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylcarbamoyl)phenyl] cyanate?
The IUPAC name of [2-(dimethylcarbamoyl)phenyl] cyanate (CID 163835020) is [2-(dimethylcarbamoyl)phenyl] cyanate.
What is the SMILES notation for [2-(dimethylcarbamoyl)phenyl] cyanate?
The canonical SMILES for [2-(dimethylcarbamoyl)phenyl] cyanate is CN(C)C(=O)c1ccccc1OC#N.
What is the InChIKey of [2-(dimethylcarbamoyl)phenyl] cyanate?
The InChIKey is OGZPYYGQYOMTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-12(2)10(13)8-5-3-4-6-9(8)14-7-11/h3-6H,1-2H3.
What are the key properties of [2-(dimethylcarbamoyl)phenyl] cyanate?
[2-(dimethylcarbamoyl)phenyl] cyanate has a molecular weight of 190.20 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylcarbamoyl)phenyl] cyanate is sourced from PubChem (CID 163835020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).