methyl (5E)-5-(3,4-dichlorophenyl)-5-methoxyiminopentanoate

C13H15Cl2NO3 — CID 58436859

IUPACmethyl (5E)-5-(3,4-dichlorophenyl)-5-methoxyiminopentanoate
SMILESCO/N=C(\CCCC(=O)OC)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H15Cl2NO3/c1-18-13(17)5-3-4-12(16-19-2)9-6-7-10(14)11(15)8-9/h6-8H,3-5H2,1-2H3/b16-12+
InChIKeyUISFNADKHGSYAC-FOWTUZBSSA-N
MW304.17 g/mol
LogP3.69
Rot. Bonds6

About methyl (5E)-5-(3,4-dichlorophenyl)-5-methoxyiminopentanoate

methyl (5E)-5-(3,4-dichlorophenyl)-5-methoxyiminopentanoate (PubChem CID 58436859) has the molecular formula C13H15Cl2NO3 and a molecular weight of 304.17 g/mol. Its IUPAC name is methyl (5E)-5-(3,4-dichlorophenyl)-5-methoxyiminopentanoate.

Molecular Properties

Compound Namemethyl (5E)-5-(3,4-dichlorophenyl)-5-methoxyiminopentanoate
PubChem CID58436859
Molecular FormulaC13H15Cl2NO3
Molecular Weight304.17 g/mol
Exact Mass303.04
IUPAC Namemethyl (5E)-5-(3,4-dichlorophenyl)-5-methoxyiminopentanoate
SMILESCO/N=C(\CCCC(=O)OC)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H15Cl2NO3/c1-18-13(17)5-3-4-12(16-19-2)9-6-7-10(14)11(15)8-9/h6-8H,3-5H2,1-2H3/b16-12+
InChIKeyUISFNADKHGSYAC-FOWTUZBSSA-N
XLogP3.69
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (5E)-5-(3,4-dichlorophenyl)-5-methoxyiminopentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (5E)-5-(3,4-dichlorophenyl)-5-methoxyiminopentanoate?
The IUPAC name of methyl (5E)-5-(3,4-dichlorophenyl)-5-methoxyiminopentanoate (CID 58436859) is methyl (5E)-5-(3,4-dichlorophenyl)-5-methoxyiminopentanoate.
What is the SMILES notation for methyl (5E)-5-(3,4-dichlorophenyl)-5-methoxyiminopentanoate?
The canonical SMILES for methyl (5E)-5-(3,4-dichlorophenyl)-5-methoxyiminopentanoate is CO/N=C(\CCCC(=O)OC)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of methyl (5E)-5-(3,4-dichlorophenyl)-5-methoxyiminopentanoate?
The InChIKey is UISFNADKHGSYAC-FOWTUZBSSA-N. The full InChI is InChI=1S/C13H15Cl2NO3/c1-18-13(17)5-3-4-12(16-19-2)9-6-7-10(14)11(15)8-9/h6-8H,3-5H2,1-2H3/b16-12+.
What are the key properties of methyl (5E)-5-(3,4-dichlorophenyl)-5-methoxyiminopentanoate?
methyl (5E)-5-(3,4-dichlorophenyl)-5-methoxyiminopentanoate has a molecular weight of 304.17 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5E)-5-(3,4-dichlorophenyl)-5-methoxyiminopentanoate is sourced from PubChem (CID 58436859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).