methyl N,2,3,5-tetramethylbenzenecarboximidate

C12H17NO — CID 54247833

IUPACmethyl N,2,3,5-tetramethylbenzenecarboximidate
SMILESC/N=C(\OC)c1cc(C)cc(C)c1C
InChIInChI=1S/C12H17NO/c1-8-6-9(2)10(3)11(7-8)12(13-4)14-5/h6-7H,1-5H3/b13-12-
InChIKeyQUODFQQFLNHOOE-SEYXRHQNSA-N
MW191.27 g/mol
LogP2.63
Rot. Bonds1

About methyl N,2,3,5-tetramethylbenzenecarboximidate

methyl N,2,3,5-tetramethylbenzenecarboximidate (PubChem CID 54247833) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is methyl N,2,3,5-tetramethylbenzenecarboximidate.

Molecular Properties

Compound Namemethyl N,2,3,5-tetramethylbenzenecarboximidate
PubChem CID54247833
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Namemethyl N,2,3,5-tetramethylbenzenecarboximidate
SMILESC/N=C(\OC)c1cc(C)cc(C)c1C
InChIInChI=1S/C12H17NO/c1-8-6-9(2)10(3)11(7-8)12(13-4)14-5/h6-7H,1-5H3/b13-12-
InChIKeyQUODFQQFLNHOOE-SEYXRHQNSA-N
XLogP2.63
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N,2,3,5-tetramethylbenzenecarboximidate?
The IUPAC name of methyl N,2,3,5-tetramethylbenzenecarboximidate (CID 54247833) is methyl N,2,3,5-tetramethylbenzenecarboximidate.
What is the SMILES notation for methyl N,2,3,5-tetramethylbenzenecarboximidate?
The canonical SMILES for methyl N,2,3,5-tetramethylbenzenecarboximidate is C/N=C(\OC)c1cc(C)cc(C)c1C.
What is the InChIKey of methyl N,2,3,5-tetramethylbenzenecarboximidate?
The InChIKey is QUODFQQFLNHOOE-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H17NO/c1-8-6-9(2)10(3)11(7-8)12(13-4)14-5/h6-7H,1-5H3/b13-12-.
What are the key properties of methyl N,2,3,5-tetramethylbenzenecarboximidate?
methyl N,2,3,5-tetramethylbenzenecarboximidate has a molecular weight of 191.27 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N,2,3,5-tetramethylbenzenecarboximidate is sourced from PubChem (CID 54247833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).