methyl N-(2-methylphenyl)iminocarbamate

C9H10N2O2 — CID 155908003

IUPACmethyl N-(2-methylphenyl)iminocarbamate
SMILESCOC(=O)/N=N/c1ccccc1C
InChIInChI=1S/C9H10N2O2/c1-7-5-3-4-6-8(7)10-11-9(12)13-2/h3-6H,1-2H3/b11-10+
InChIKeyFDPIQMALQLEROY-ZHACJKMWSA-N
MW178.19 g/mol
LogP2.85
Rot. Bonds1

About methyl N-(2-methylphenyl)iminocarbamate

methyl N-(2-methylphenyl)iminocarbamate (PubChem CID 155908003) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is methyl N-(2-methylphenyl)iminocarbamate.

Molecular Properties

Compound Namemethyl N-(2-methylphenyl)iminocarbamate
PubChem CID155908003
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Namemethyl N-(2-methylphenyl)iminocarbamate
SMILESCOC(=O)/N=N/c1ccccc1C
InChIInChI=1S/C9H10N2O2/c1-7-5-3-4-6-8(7)10-11-9(12)13-2/h3-6H,1-2H3/b11-10+
InChIKeyFDPIQMALQLEROY-ZHACJKMWSA-N
XLogP2.85
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-(2-methylphenyl)iminocarbamate?
The IUPAC name of methyl N-(2-methylphenyl)iminocarbamate (CID 155908003) is methyl N-(2-methylphenyl)iminocarbamate.
What is the SMILES notation for methyl N-(2-methylphenyl)iminocarbamate?
The canonical SMILES for methyl N-(2-methylphenyl)iminocarbamate is COC(=O)/N=N/c1ccccc1C.
What is the InChIKey of methyl N-(2-methylphenyl)iminocarbamate?
The InChIKey is FDPIQMALQLEROY-ZHACJKMWSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-7-5-3-4-6-8(7)10-11-9(12)13-2/h3-6H,1-2H3/b11-10+.
What are the key properties of methyl N-(2-methylphenyl)iminocarbamate?
methyl N-(2-methylphenyl)iminocarbamate has a molecular weight of 178.19 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-methylphenyl)iminocarbamate is sourced from PubChem (CID 155908003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).