methyl (2E)-2-[(2-methylpropan-2-yl)oxyimino]-2-thiophen-2-ylacetate

C11H15NO3S — CID 22628599

IUPACmethyl (2E)-2-[(2-methylpropan-2-yl)oxyimino]-2-thiophen-2-ylacetate
SMILESCOC(=O)/C(=N\OC(C)(C)C)c1cccs1
InChIInChI=1S/C11H15NO3S/c1-11(2,3)15-12-9(10(13)14-4)8-6-5-7-16-8/h5-7H,1-4H3/b12-9-
InChIKeyZXJUYOBRVAASPT-XFXZXTDPSA-N
MW241.31 g/mol
LogP2.44
Rot. Bonds3

About methyl (2E)-2-[(2-methylpropan-2-yl)oxyimino]-2-thiophen-2-ylacetate

methyl (2E)-2-[(2-methylpropan-2-yl)oxyimino]-2-thiophen-2-ylacetate (PubChem CID 22628599) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is methyl (2E)-2-[(2-methylpropan-2-yl)oxyimino]-2-thiophen-2-ylacetate.

Molecular Properties

Compound Namemethyl (2E)-2-[(2-methylpropan-2-yl)oxyimino]-2-thiophen-2-ylacetate
PubChem CID22628599
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Namemethyl (2E)-2-[(2-methylpropan-2-yl)oxyimino]-2-thiophen-2-ylacetate
SMILESCOC(=O)/C(=N\OC(C)(C)C)c1cccs1
InChIInChI=1S/C11H15NO3S/c1-11(2,3)15-12-9(10(13)14-4)8-6-5-7-16-8/h5-7H,1-4H3/b12-9-
InChIKeyZXJUYOBRVAASPT-XFXZXTDPSA-N
XLogP2.44
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.44
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

methyl 2-oxo-2-thiophen-2-ylacetate
CID 11217486
tert-butyl 2-thiophen-2-ylpent-2-en-4-ynoate
CID 175217285
(2E)-2-[1,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yloxyimino]-2-thiophen-2-ylacetic acid
CID 15458135
ethyl (2E)-2-[[hydroxy-[(2-methylpropan-2-yl)oxy]amino]hydrazinylidene]-2-thiophen-2-ylacetate
CID 143717768
methyl 2-(2-bromophenyl)-2-hydroxy-2-thiophen-2-ylacetate
CID 171477878
tert-butyl N-[(Z)-1-thiophen-2-ylpropylideneamino]carbamate
CID 8972522
methyl (2E)-2-(3-methylpentan-3-yloxyimino)-2-phenylacetate;methyl (2Z)-2-(3-methylpentan-3-yloxyimino)-2-phenylacetate
CID 159710722
methylcarbamoyl thiophene-2-carboxylate
CID 143396062
2-amino-3,3,3-trifluoro-2-methyl-1-thiophen-2-ylpropan-1-one
CID 116593132
2-[(E)-3,3,3-trifluoro-1-methoxyprop-1-enyl]thiophene
CID 10679856
methyl (E)-3-(dimethylamino)-2-(thiophene-2-carbonylamino)prop-2-enoate
CID 6116653
tert-butyl N-[(1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbutan-2-ylidene)amino]carbamate
CID 3131610

Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2-[(2-methylpropan-2-yl)oxyimino]-2-thiophen-2-ylacetate?
The IUPAC name of methyl (2E)-2-[(2-methylpropan-2-yl)oxyimino]-2-thiophen-2-ylacetate (CID 22628599) is methyl (2E)-2-[(2-methylpropan-2-yl)oxyimino]-2-thiophen-2-ylacetate.
What is the SMILES notation for methyl (2E)-2-[(2-methylpropan-2-yl)oxyimino]-2-thiophen-2-ylacetate?
The canonical SMILES for methyl (2E)-2-[(2-methylpropan-2-yl)oxyimino]-2-thiophen-2-ylacetate is COC(=O)/C(=N\OC(C)(C)C)c1cccs1.
What is the InChIKey of methyl (2E)-2-[(2-methylpropan-2-yl)oxyimino]-2-thiophen-2-ylacetate?
The InChIKey is ZXJUYOBRVAASPT-XFXZXTDPSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-11(2,3)15-12-9(10(13)14-4)8-6-5-7-16-8/h5-7H,1-4H3/b12-9-.
What are the key properties of methyl (2E)-2-[(2-methylpropan-2-yl)oxyimino]-2-thiophen-2-ylacetate?
methyl (2E)-2-[(2-methylpropan-2-yl)oxyimino]-2-thiophen-2-ylacetate has a molecular weight of 241.31 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-[(2-methylpropan-2-yl)oxyimino]-2-thiophen-2-ylacetate is sourced from PubChem (CID 22628599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).