1-methoxy-N-phenylmethanimidate

C8H8NO2- — CID 1380729

IUPAC1-methoxy-N-phenylmethanimidate
SMILESCO/C([O-])=N/c1ccccc1
InChIInChI=1S/C8H9NO2/c1-11-8(10)9-7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10)/p-1
InChIKeyIAGUPODHENSJEZ-UHFFFAOYSA-M
MW150.16 g/mol
LogP0.68
Rot. Bonds1

About 1-methoxy-N-phenylmethanimidate

1-methoxy-N-phenylmethanimidate (PubChem CID 1380729) has the molecular formula C8H8NO2- and a molecular weight of 150.16 g/mol. Its IUPAC name is 1-methoxy-N-phenylmethanimidate.

Molecular Properties

Compound Name1-methoxy-N-phenylmethanimidate
PubChem CID1380729
Molecular FormulaC8H8NO2-
Molecular Weight150.16 g/mol
Exact Mass150.06
IUPAC Name1-methoxy-N-phenylmethanimidate
SMILESCO/C([O-])=N/c1ccccc1
InChIInChI=1S/C8H9NO2/c1-11-8(10)9-7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10)/p-1
InChIKeyIAGUPODHENSJEZ-UHFFFAOYSA-M
XLogP0.68
TPSA44.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.16
LogP ≤ 50.68
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-methoxy-N-phenylmethanimidate?
The IUPAC name of 1-methoxy-N-phenylmethanimidate (CID 1380729) is 1-methoxy-N-phenylmethanimidate.
What is the SMILES notation for 1-methoxy-N-phenylmethanimidate?
The canonical SMILES for 1-methoxy-N-phenylmethanimidate is CO/C([O-])=N/c1ccccc1.
What is the InChIKey of 1-methoxy-N-phenylmethanimidate?
The InChIKey is IAGUPODHENSJEZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H9NO2/c1-11-8(10)9-7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10)/p-1.
What are the key properties of 1-methoxy-N-phenylmethanimidate?
1-methoxy-N-phenylmethanimidate has a molecular weight of 150.16 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-phenylmethanimidate is sourced from PubChem (CID 1380729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).