1-(2,4-dichlorophenyl)-N-(2-hydroxyiminocyclohexyl)methanimine oxide

C13H14Cl2N2O2 — CID 5135335

IUPAC1-(2,4-dichlorophenyl)-N-(2-hydroxyiminocyclohexyl)methanimine oxide
SMILES[O-][N+](=Cc1ccc(Cl)cc1Cl)C1CCCCC1=NO
InChIInChI=1S/C13H14Cl2N2O2/c14-10-6-5-9(11(15)7-10)8-17(19)13-4-2-1-3-12(13)16-18/h5-8,13,18H,1-4H2
InChIKeyMODWJFHNSUOPKS-UHFFFAOYSA-N
MW301.17 g/mol
LogP3.70
Rot. Bonds2

About 1-(2,4-dichlorophenyl)-N-(2-hydroxyiminocyclohexyl)methanimine oxide

1-(2,4-dichlorophenyl)-N-(2-hydroxyiminocyclohexyl)methanimine oxide (PubChem CID 5135335) has the molecular formula C13H14Cl2N2O2 and a molecular weight of 301.17 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-(2-hydroxyiminocyclohexyl)methanimine oxide.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-(2-hydroxyiminocyclohexyl)methanimine oxide
PubChem CID5135335
Molecular FormulaC13H14Cl2N2O2
Molecular Weight301.17 g/mol
Exact Mass300.04
IUPAC Name1-(2,4-dichlorophenyl)-N-(2-hydroxyiminocyclohexyl)methanimine oxide
SMILES[O-][N+](=Cc1ccc(Cl)cc1Cl)C1CCCCC1=NO
InChIInChI=1S/C13H14Cl2N2O2/c14-10-6-5-9(11(15)7-10)8-17(19)13-4-2-1-3-12(13)16-18/h5-8,13,18H,1-4H2
InChIKeyMODWJFHNSUOPKS-UHFFFAOYSA-N
XLogP3.70
TPSA58.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-(2-hydroxyiminocyclohexyl)methanimine oxide?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-(2-hydroxyiminocyclohexyl)methanimine oxide (CID 5135335) is 1-(2,4-dichlorophenyl)-N-(2-hydroxyiminocyclohexyl)methanimine oxide.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-(2-hydroxyiminocyclohexyl)methanimine oxide?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-(2-hydroxyiminocyclohexyl)methanimine oxide is [O-][N+](=Cc1ccc(Cl)cc1Cl)C1CCCCC1=NO.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-(2-hydroxyiminocyclohexyl)methanimine oxide?
The InChIKey is MODWJFHNSUOPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O2/c14-10-6-5-9(11(15)7-10)8-17(19)13-4-2-1-3-12(13)16-18/h5-8,13,18H,1-4H2.
What are the key properties of 1-(2,4-dichlorophenyl)-N-(2-hydroxyiminocyclohexyl)methanimine oxide?
1-(2,4-dichlorophenyl)-N-(2-hydroxyiminocyclohexyl)methanimine oxide has a molecular weight of 301.17 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-(2-hydroxyiminocyclohexyl)methanimine oxide is sourced from PubChem (CID 5135335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).