1-[(2-methylpropan-2-yl)oxy]-N-phenylmethanimidate

C11H14NO2- — CID 159289945

IUPAC1-[(2-methylpropan-2-yl)oxy]-N-phenylmethanimidate
SMILESCC(C)(C)O/C([O-])=N/c1ccccc1
InChIInChI=1S/C11H15NO2/c1-11(2,3)14-10(13)12-9-7-5-4-6-8-9/h4-8H,1-3H3,(H,12,13)/p-1
InChIKeyKZZHPWMVEVZEFG-UHFFFAOYSA-M
MW192.24 g/mol
LogP1.85
Rot. Bonds1

About 1-[(2-methylpropan-2-yl)oxy]-N-phenylmethanimidate

1-[(2-methylpropan-2-yl)oxy]-N-phenylmethanimidate (PubChem CID 159289945) has the molecular formula C11H14NO2- and a molecular weight of 192.24 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]-N-phenylmethanimidate.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]-N-phenylmethanimidate
PubChem CID159289945
Molecular FormulaC11H14NO2-
Molecular Weight192.24 g/mol
Exact Mass192.10
IUPAC Name1-[(2-methylpropan-2-yl)oxy]-N-phenylmethanimidate
SMILESCC(C)(C)O/C([O-])=N/c1ccccc1
InChIInChI=1S/C11H15NO2/c1-11(2,3)14-10(13)12-9-7-5-4-6-8-9/h4-8H,1-3H3,(H,12,13)/p-1
InChIKeyKZZHPWMVEVZEFG-UHFFFAOYSA-M
XLogP1.85
TPSA44.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-[(2-methylpropan-2-yl)oxy]-N-phenylmethanimidate?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-N-phenylmethanimidate (CID 159289945) is 1-[(2-methylpropan-2-yl)oxy]-N-phenylmethanimidate.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]-N-phenylmethanimidate?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]-N-phenylmethanimidate is CC(C)(C)O/C([O-])=N/c1ccccc1.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]-N-phenylmethanimidate?
The InChIKey is KZZHPWMVEVZEFG-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H15NO2/c1-11(2,3)14-10(13)12-9-7-5-4-6-8-9/h4-8H,1-3H3,(H,12,13)/p-1.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]-N-phenylmethanimidate?
1-[(2-methylpropan-2-yl)oxy]-N-phenylmethanimidate has a molecular weight of 192.24 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]-N-phenylmethanimidate is sourced from PubChem (CID 159289945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).