methyl N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]carbamate

C12H16N2O2 — CID 6907691

IUPACmethyl N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]carbamate
SMILESCOC(=O)N/N=C/c1c(C)cc(C)cc1C
InChIInChI=1S/C12H16N2O2/c1-8-5-9(2)11(10(3)6-8)7-13-14-12(15)16-4/h5-7H,1-4H3,(H,14,15)/b13-7+
InChIKeyRFIHCYVNYDGHEX-NTUHNPAUSA-N
MW220.27 g/mol
LogP2.30
Rot. Bonds2

About methyl N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]carbamate

methyl N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]carbamate (PubChem CID 6907691) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is methyl N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]carbamate
PubChem CID6907691
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Namemethyl N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]carbamate
SMILESCOC(=O)N/N=C/c1c(C)cc(C)cc1C
InChIInChI=1S/C12H16N2O2/c1-8-5-9(2)11(10(3)6-8)7-13-14-12(15)16-4/h5-7H,1-4H3,(H,14,15)/b13-7+
InChIKeyRFIHCYVNYDGHEX-NTUHNPAUSA-N
XLogP2.30
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]carbamate?
The IUPAC name of methyl N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]carbamate (CID 6907691) is methyl N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]carbamate.
What is the SMILES notation for methyl N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]carbamate?
The canonical SMILES for methyl N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]carbamate is COC(=O)N/N=C/c1c(C)cc(C)cc1C.
What is the InChIKey of methyl N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]carbamate?
The InChIKey is RFIHCYVNYDGHEX-NTUHNPAUSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8-5-9(2)11(10(3)6-8)7-13-14-12(15)16-4/h5-7H,1-4H3,(H,14,15)/b13-7+.
What are the key properties of methyl N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]carbamate?
methyl N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]carbamate has a molecular weight of 220.27 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]carbamate is sourced from PubChem (CID 6907691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).