(E)-N-phenylmethoxyethanimine

C9H11NO — CID 11019027

IUPAC(E)-N-phenylmethoxyethanimine
SMILESC/C=N/OCc1ccccc1
InChIInChI=1S/C9H11NO/c1-2-10-11-8-9-6-4-3-5-7-9/h2-7H,8H2,1H3/b10-2+
InChIKeyWXGOLMICHIGDMF-WTDSWWLTSA-N
MW149.19 g/mol
LogP2.21
Rot. Bonds3

About (E)-N-phenylmethoxyethanimine

(E)-N-phenylmethoxyethanimine (PubChem CID 11019027) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is (E)-N-phenylmethoxyethanimine.

Molecular Properties

Compound Name(E)-N-phenylmethoxyethanimine
PubChem CID11019027
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name(E)-N-phenylmethoxyethanimine
SMILESC/C=N/OCc1ccccc1
InChIInChI=1S/C9H11NO/c1-2-10-11-8-9-6-4-3-5-7-9/h2-7H,8H2,1H3/b10-2+
InChIKeyWXGOLMICHIGDMF-WTDSWWLTSA-N
XLogP2.21
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 52.21
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-phenylmethoxyethanimine?
The IUPAC name of (E)-N-phenylmethoxyethanimine (CID 11019027) is (E)-N-phenylmethoxyethanimine.
What is the SMILES notation for (E)-N-phenylmethoxyethanimine?
The canonical SMILES for (E)-N-phenylmethoxyethanimine is C/C=N/OCc1ccccc1.
What is the InChIKey of (E)-N-phenylmethoxyethanimine?
The InChIKey is WXGOLMICHIGDMF-WTDSWWLTSA-N. The full InChI is InChI=1S/C9H11NO/c1-2-10-11-8-9-6-4-3-5-7-9/h2-7H,8H2,1H3/b10-2+.
What are the key properties of (E)-N-phenylmethoxyethanimine?
(E)-N-phenylmethoxyethanimine has a molecular weight of 149.19 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-phenylmethoxyethanimine is sourced from PubChem (CID 11019027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).