(E)-N-methoxy-1-phenylmethanimine

C8H9NO — CID 5352920

IUPAC(E)-N-methoxy-1-phenylmethanimine
SMILESCO/N=C/c1ccccc1
InChIInChI=1S/C8H9NO/c1-10-9-7-8-5-3-2-4-6-8/h2-7H,1H3/b9-7+
InChIKeyLEOPYQNROPGGGR-VQHVLOKHSA-N
MW135.17 g/mol
LogP1.67
Rot. Bonds2

About (E)-N-methoxy-1-phenylmethanimine

(E)-N-methoxy-1-phenylmethanimine (PubChem CID 5352920) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is (E)-N-methoxy-1-phenylmethanimine.

Molecular Properties

Compound Name(E)-N-methoxy-1-phenylmethanimine
PubChem CID5352920
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name(E)-N-methoxy-1-phenylmethanimine
SMILESCO/N=C/c1ccccc1
InChIInChI=1S/C8H9NO/c1-10-9-7-8-5-3-2-4-6-8/h2-7H,1H3/b9-7+
InChIKeyLEOPYQNROPGGGR-VQHVLOKHSA-N
XLogP1.67
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (E)-N-methoxy-1-phenylmethanimine?
The IUPAC name of (E)-N-methoxy-1-phenylmethanimine (CID 5352920) is (E)-N-methoxy-1-phenylmethanimine.
What is the SMILES notation for (E)-N-methoxy-1-phenylmethanimine?
The canonical SMILES for (E)-N-methoxy-1-phenylmethanimine is CO/N=C/c1ccccc1.
What is the InChIKey of (E)-N-methoxy-1-phenylmethanimine?
The InChIKey is LEOPYQNROPGGGR-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H9NO/c1-10-9-7-8-5-3-2-4-6-8/h2-7H,1H3/b9-7+.
What are the key properties of (E)-N-methoxy-1-phenylmethanimine?
(E)-N-methoxy-1-phenylmethanimine has a molecular weight of 135.17 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-1-phenylmethanimine is sourced from PubChem (CID 5352920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).