methyl (2Z)-2-(4-chlorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetate

C15H18ClNO3 — CID 88612345

IUPACmethyl (2Z)-2-(4-chlorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetate
SMILESCOC(=O)/C(=N\OC1(C)CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClNO3/c1-15(9-3-4-10-15)20-17-13(14(18)19-2)11-5-7-12(16)8-6-11/h5-8H,3-4,9-10H2,1-2H3/b17-13-
InChIKeyQXHNIZYNPOTDBD-LGMDPLHJSA-N
MW295.77 g/mol
LogP3.57
Rot. Bonds4

About methyl (2Z)-2-(4-chlorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetate

methyl (2Z)-2-(4-chlorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetate (PubChem CID 88612345) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is methyl (2Z)-2-(4-chlorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetate.

Molecular Properties

Compound Namemethyl (2Z)-2-(4-chlorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetate
PubChem CID88612345
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Namemethyl (2Z)-2-(4-chlorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetate
SMILESCOC(=O)/C(=N\OC1(C)CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClNO3/c1-15(9-3-4-10-15)20-17-13(14(18)19-2)11-5-7-12(16)8-6-11/h5-8H,3-4,9-10H2,1-2H3/b17-13-
InChIKeyQXHNIZYNPOTDBD-LGMDPLHJSA-N
XLogP3.57
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 53.57
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'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-(4-chlorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetate?
The IUPAC name of methyl (2Z)-2-(4-chlorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetate (CID 88612345) is methyl (2Z)-2-(4-chlorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetate.
What is the SMILES notation for methyl (2Z)-2-(4-chlorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetate?
The canonical SMILES for methyl (2Z)-2-(4-chlorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetate is COC(=O)/C(=N\OC1(C)CCCC1)c1ccc(Cl)cc1.
What is the InChIKey of methyl (2Z)-2-(4-chlorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetate?
The InChIKey is QXHNIZYNPOTDBD-LGMDPLHJSA-N. The full InChI is InChI=1S/C15H18ClNO3/c1-15(9-3-4-10-15)20-17-13(14(18)19-2)11-5-7-12(16)8-6-11/h5-8H,3-4,9-10H2,1-2H3/b17-13-.
What are the key properties of methyl (2Z)-2-(4-chlorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetate?
methyl (2Z)-2-(4-chlorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetate has a molecular weight of 295.77 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-(4-chlorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetate is sourced from PubChem (CID 88612345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).