methyl (2E)-2-(4-chlorophenyl)-2-methoxyiminoacetate

C10H10ClNO3 — CID 15416041

IUPACmethyl (2E)-2-(4-chlorophenyl)-2-methoxyiminoacetate
SMILESCO/N=C(/C(=O)OC)c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClNO3/c1-14-10(13)9(12-15-2)7-3-5-8(11)6-4-7/h3-6H,1-2H3/b12-9+
InChIKeyGAJPYQANEXEEQN-FMIVXFBMSA-N
MW227.65 g/mol
LogP1.86
Rot. Bonds3

About methyl (2E)-2-(4-chlorophenyl)-2-methoxyiminoacetate

methyl (2E)-2-(4-chlorophenyl)-2-methoxyiminoacetate (PubChem CID 15416041) has the molecular formula C10H10ClNO3 and a molecular weight of 227.65 g/mol. Its IUPAC name is methyl (2E)-2-(4-chlorophenyl)-2-methoxyiminoacetate.

Molecular Properties

Compound Namemethyl (2E)-2-(4-chlorophenyl)-2-methoxyiminoacetate
PubChem CID15416041
Molecular FormulaC10H10ClNO3
Molecular Weight227.65 g/mol
Exact Mass227.03
IUPAC Namemethyl (2E)-2-(4-chlorophenyl)-2-methoxyiminoacetate
SMILESCO/N=C(/C(=O)OC)c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClNO3/c1-14-10(13)9(12-15-2)7-3-5-8(11)6-4-7/h3-6H,1-2H3/b12-9+
InChIKeyGAJPYQANEXEEQN-FMIVXFBMSA-N
XLogP1.86
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 51.86
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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Related Compounds

methyl (2Z)-2-(4-chlorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetate
CID 88612345
(NE)-N-[(1Z)-1-(4-chlorophenyl)-1-methoxyiminopropan-2-ylidene]hydroxylamine
CID 135597868
methyl (2E)-2-(4-chlorophenyl)-2-(dimethoxyphosphorylhydrazinylidene)acetate
CID 71696891
methyl 2-[2-[[[3-(4-chlorophenyl)-3-methoxyiminoprop-1-en-2-yl]amino]oxymethyl]phenyl]-2-methoxyiminoacetate
CID 91027398
1-(4-chlorophenyl)-2-hydrazinylidene-N-methoxypropan-1-imine
CID 86757955
methyl 2-methoxyimino-2-[4-[(2-methylphenoxy)methyl]phenyl]acetate
CID 139669245
N-[(2Z)-2-(4-chlorophenyl)-2-methoxyiminoethyl]-4-fluorobenzamide
CID 21157516
methyl (2E)-2-(2-fluoro-6-hydroxyphenyl)-2-methoxyiminoacetate
CID 135442571
methyl 2-(3,5-dichlorophenyl)imino-2-phenylacetate
CID 88699654
methyl (2Z)-2-[2-(chloromethyl)phenyl]-2-methoxyiminoacetate
CID 11064561
methyl 4-[4-[4-(4-chlorophenyl)phenyl]phenyl]benzoate
CID 71713147
methyl (Z)-4-(4-chlorophenyl)-4-hydroxy-2-oxobut-3-enoate;hydrate
CID 45047648

Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2-(4-chlorophenyl)-2-methoxyiminoacetate?
The IUPAC name of methyl (2E)-2-(4-chlorophenyl)-2-methoxyiminoacetate (CID 15416041) is methyl (2E)-2-(4-chlorophenyl)-2-methoxyiminoacetate.
What is the SMILES notation for methyl (2E)-2-(4-chlorophenyl)-2-methoxyiminoacetate?
The canonical SMILES for methyl (2E)-2-(4-chlorophenyl)-2-methoxyiminoacetate is CO/N=C(/C(=O)OC)c1ccc(Cl)cc1.
What is the InChIKey of methyl (2E)-2-(4-chlorophenyl)-2-methoxyiminoacetate?
The InChIKey is GAJPYQANEXEEQN-FMIVXFBMSA-N. The full InChI is InChI=1S/C10H10ClNO3/c1-14-10(13)9(12-15-2)7-3-5-8(11)6-4-7/h3-6H,1-2H3/b12-9+.
What are the key properties of methyl (2E)-2-(4-chlorophenyl)-2-methoxyiminoacetate?
methyl (2E)-2-(4-chlorophenyl)-2-methoxyiminoacetate has a molecular weight of 227.65 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-(4-chlorophenyl)-2-methoxyiminoacetate is sourced from PubChem (CID 15416041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).