1-(2-chlorophenyl)-N-methoxyethanimine

C9H10ClNO — CID 54089109

IUPAC1-(2-chlorophenyl)-N-methoxyethanimine
SMILESCON=C(C)c1ccccc1Cl
InChIInChI=1S/C9H10ClNO/c1-7(11-12-2)8-5-3-4-6-9(8)10/h3-6H,1-2H3
InChIKeyMSPCYEGRZPYIBW-UHFFFAOYSA-N
MW183.64 g/mol
LogP2.71
Rot. Bonds2

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

1-(2-chlorophenyl)-N-methoxyethanimine (PubChem CID 54089109) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-methoxyethanimine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-methoxyethanimine
PubChem CID54089109
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name1-(2-chlorophenyl)-N-methoxyethanimine
SMILESCON=C(C)c1ccccc1Cl
InChIInChI=1S/C9H10ClNO/c1-7(11-12-2)8-5-3-4-6-9(8)10/h3-6H,1-2H3
InChIKeyMSPCYEGRZPYIBW-UHFFFAOYSA-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 1-(2-chlorophenyl)-N-methoxyethanimine?
The IUPAC name of 1-(2-chlorophenyl)-N-methoxyethanimine (CID 54089109) is 1-(2-chlorophenyl)-N-methoxyethanimine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-methoxyethanimine?
The canonical SMILES for 1-(2-chlorophenyl)-N-methoxyethanimine is CON=C(C)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-methoxyethanimine?
The InChIKey is MSPCYEGRZPYIBW-UHFFFAOYSA-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.
What are the key properties of 1-(2-chlorophenyl)-N-methoxyethanimine?
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 1-(2-chlorophenyl)-N-methoxyethanimine is sourced from PubChem (CID 54089109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).