(E)-1-(3-bromophenyl)-N-methoxyethanimine

C9H10BrNO — CID 11651524

IUPAC(E)-1-(3-bromophenyl)-N-methoxyethanimine
SMILESCO/N=C(\C)c1cccc(Br)c1
InChIInChI=1S/C9H10BrNO/c1-7(11-12-2)8-4-3-5-9(10)6-8/h3-6H,1-2H3/b11-7+
InChIKeyPXTFPBFVLXMPQH-YRNVUSSQSA-N
MW228.09 g/mol
LogP2.82
Rot. Bonds2

About (E)-1-(3-bromophenyl)-N-methoxyethanimine

(E)-1-(3-bromophenyl)-N-methoxyethanimine (PubChem CID 11651524) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is (E)-1-(3-bromophenyl)-N-methoxyethanimine.

Molecular Properties

Compound Name(E)-1-(3-bromophenyl)-N-methoxyethanimine
PubChem CID11651524
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC Name(E)-1-(3-bromophenyl)-N-methoxyethanimine
SMILESCO/N=C(\C)c1cccc(Br)c1
InChIInChI=1S/C9H10BrNO/c1-7(11-12-2)8-4-3-5-9(10)6-8/h3-6H,1-2H3/b11-7+
InChIKeyPXTFPBFVLXMPQH-YRNVUSSQSA-N
XLogP2.82
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 52.82
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)-1-(3-bromophenyl)-N-methoxyethanimine?
The IUPAC name of (E)-1-(3-bromophenyl)-N-methoxyethanimine (CID 11651524) is (E)-1-(3-bromophenyl)-N-methoxyethanimine.
What is the SMILES notation for (E)-1-(3-bromophenyl)-N-methoxyethanimine?
The canonical SMILES for (E)-1-(3-bromophenyl)-N-methoxyethanimine is CO/N=C(\C)c1cccc(Br)c1.
What is the InChIKey of (E)-1-(3-bromophenyl)-N-methoxyethanimine?
The InChIKey is PXTFPBFVLXMPQH-YRNVUSSQSA-N. The full InChI is InChI=1S/C9H10BrNO/c1-7(11-12-2)8-4-3-5-9(10)6-8/h3-6H,1-2H3/b11-7+.
What are the key properties of (E)-1-(3-bromophenyl)-N-methoxyethanimine?
(E)-1-(3-bromophenyl)-N-methoxyethanimine has a molecular weight of 228.09 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-bromophenyl)-N-methoxyethanimine is sourced from PubChem (CID 11651524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).