ethyl (2E)-2-methoxyimino-2-(3-methylthiophen-2-yl)acetate

C10H13NO3S — CID 10933212

IUPACethyl (2E)-2-methoxyimino-2-(3-methylthiophen-2-yl)acetate
SMILESCCOC(=O)/C(=N\OC)c1sccc1C
InChIInChI=1S/C10H13NO3S/c1-4-14-10(12)8(11-13-3)9-7(2)5-6-15-9/h5-6H,4H2,1-3H3/b11-8-
InChIKeyBWXCCWRIHOYDDP-FLIBITNWSA-N
MW227.28 g/mol
LogP1.97
Rot. Bonds4

About ethyl (2E)-2-methoxyimino-2-(3-methylthiophen-2-yl)acetate

ethyl (2E)-2-methoxyimino-2-(3-methylthiophen-2-yl)acetate (PubChem CID 10933212) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is ethyl (2E)-2-methoxyimino-2-(3-methylthiophen-2-yl)acetate.

Molecular Properties

Compound Nameethyl (2E)-2-methoxyimino-2-(3-methylthiophen-2-yl)acetate
PubChem CID10933212
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Nameethyl (2E)-2-methoxyimino-2-(3-methylthiophen-2-yl)acetate
SMILESCCOC(=O)/C(=N\OC)c1sccc1C
InChIInChI=1S/C10H13NO3S/c1-4-14-10(12)8(11-13-3)9-7(2)5-6-15-9/h5-6H,4H2,1-3H3/b11-8-
InChIKeyBWXCCWRIHOYDDP-FLIBITNWSA-N
XLogP1.97
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

ethyl (Z)-2-methyl-3-(3-methylthiophen-2-yl)but-2-enoate
CID 104503630
ethyl 2-(5-methoxy-1-benzothiophen-3-yl)-2-methoxyiminoacetate
CID 173419854
ethyl 2-methoxyimino-2-(1-methylpyrazol-3-yl)acetate
CID 54252092
ethyl (2Z)-2-methoxyimino-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetate
CID 12889177
2-ethyl-2-methoxy-1-(3-methylthiophen-2-yl)butan-1-one
CID 116747596
2-(3-chlorothiophen-2-yl)-2-methoxyiminoacetic acid
CID 87796889
ethyl (2E)-2-[2-(diethoxymethyl)phenyl]-2-methoxyiminoacetate
CID 11823021
(3-ethoxy-2-methoxyimino-3-oxopropyl)-triphenylphosphanium
CID 53396364
ethyl 2-(5-amino-1H-pyrrol-3-yl)-2-methoxyiminoacetate
CID 175094276
ethyl (2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate
CID 11118700
2-(3-methylthiophen-2-yl)-2-oxoacetamide
CID 116924521
2-ethoxy-3-methyl-1-(3-methylthiophen-2-yl)butan-1-one
CID 116708890

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-methoxyimino-2-(3-methylthiophen-2-yl)acetate?
The IUPAC name of ethyl (2E)-2-methoxyimino-2-(3-methylthiophen-2-yl)acetate (CID 10933212) is ethyl (2E)-2-methoxyimino-2-(3-methylthiophen-2-yl)acetate.
What is the SMILES notation for ethyl (2E)-2-methoxyimino-2-(3-methylthiophen-2-yl)acetate?
The canonical SMILES for ethyl (2E)-2-methoxyimino-2-(3-methylthiophen-2-yl)acetate is CCOC(=O)/C(=N\OC)c1sccc1C.
What is the InChIKey of ethyl (2E)-2-methoxyimino-2-(3-methylthiophen-2-yl)acetate?
The InChIKey is BWXCCWRIHOYDDP-FLIBITNWSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-4-14-10(12)8(11-13-3)9-7(2)5-6-15-9/h5-6H,4H2,1-3H3/b11-8-.
What are the key properties of ethyl (2E)-2-methoxyimino-2-(3-methylthiophen-2-yl)acetate?
ethyl (2E)-2-methoxyimino-2-(3-methylthiophen-2-yl)acetate has a molecular weight of 227.28 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-methoxyimino-2-(3-methylthiophen-2-yl)acetate is sourced from PubChem (CID 10933212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).