(E)-1-(2-chlorophenyl)-N-methoxyethanimine

C9H10ClNO — CID 45257545

IUPAC(E)-1-(2-chlorophenyl)-N-methoxyethanimine
SMILESCO/N=C(\C)c1ccccc1Cl
InChIInChI=1S/C9H10ClNO/c1-7(11-12-2)8-5-3-4-6-9(8)10/h3-6H,1-2H3/b11-7+
InChIKeyMSPCYEGRZPYIBW-YRNVUSSQSA-N
MW183.64 g/mol
LogP2.71
Rot. Bonds2

About (E)-1-(2-chlorophenyl)-N-methoxyethanimine

(E)-1-(2-chlorophenyl)-N-methoxyethanimine (PubChem CID 45257545) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is (E)-1-(2-chlorophenyl)-N-methoxyethanimine.

Molecular Properties

Compound Name(E)-1-(2-chlorophenyl)-N-methoxyethanimine
PubChem CID45257545
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name(E)-1-(2-chlorophenyl)-N-methoxyethanimine
SMILESCO/N=C(\C)c1ccccc1Cl
InChIInChI=1S/C9H10ClNO/c1-7(11-12-2)8-5-3-4-6-9(8)10/h3-6H,1-2H3/b11-7+
InChIKeyMSPCYEGRZPYIBW-YRNVUSSQSA-N
XLogP2.71
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 52.71
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-(2-chlorophenyl)-N-methoxyethanimine?
The IUPAC name of (E)-1-(2-chlorophenyl)-N-methoxyethanimine (CID 45257545) is (E)-1-(2-chlorophenyl)-N-methoxyethanimine.
What is the SMILES notation for (E)-1-(2-chlorophenyl)-N-methoxyethanimine?
The canonical SMILES for (E)-1-(2-chlorophenyl)-N-methoxyethanimine is CO/N=C(\C)c1ccccc1Cl.
What is the InChIKey of (E)-1-(2-chlorophenyl)-N-methoxyethanimine?
The InChIKey is MSPCYEGRZPYIBW-YRNVUSSQSA-N. The full InChI is InChI=1S/C9H10ClNO/c1-7(11-12-2)8-5-3-4-6-9(8)10/h3-6H,1-2H3/b11-7+.
What are the key properties of (E)-1-(2-chlorophenyl)-N-methoxyethanimine?
(E)-1-(2-chlorophenyl)-N-methoxyethanimine has a molecular weight of 183.64 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-chlorophenyl)-N-methoxyethanimine is sourced from PubChem (CID 45257545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).