methyl (2E)-2-ethoxyimino-2-(2-methanidylphenyl)acetate;uranium

C12H14NO3U- — CID 59896432

IUPACmethyl (2E)-2-ethoxyimino-2-(2-methanidylphenyl)acetate;uranium
SMILES[CH2-]c1ccccc1/C(=N\OCC)C(=O)OC.[U]
InChIInChI=1S/C12H14NO3.U/c1-4-16-13-11(12(14)15-3)10-8-6-5-7-9(10)2;/h5-8H,2,4H2,1,3H3;/q-1;/b13-11+;
InChIKeyYKAQAPFWQITUEE-BNSHTTSQSA-N
MW458.28 g/mol
LogP1.78
Rot. Bonds4

About methyl (2E)-2-ethoxyimino-2-(2-methanidylphenyl)acetate;uranium

methyl (2E)-2-ethoxyimino-2-(2-methanidylphenyl)acetate;uranium (PubChem CID 59896432) has the molecular formula C12H14NO3U- and a molecular weight of 458.28 g/mol. Its IUPAC name is methyl (2E)-2-ethoxyimino-2-(2-methanidylphenyl)acetate;uranium.

Molecular Properties

Compound Namemethyl (2E)-2-ethoxyimino-2-(2-methanidylphenyl)acetate;uranium
PubChem CID59896432
Molecular FormulaC12H14NO3U-
Molecular Weight458.28 g/mol
Exact Mass458.15
IUPAC Namemethyl (2E)-2-ethoxyimino-2-(2-methanidylphenyl)acetate;uranium
SMILES[CH2-]c1ccccc1/C(=N\OCC)C(=O)OC.[U]
InChIInChI=1S/C12H14NO3.U/c1-4-16-13-11(12(14)15-3)10-8-6-5-7-9(10)2;/h5-8H,2,4H2,1,3H3;/q-1;/b13-11+;
InChIKeyYKAQAPFWQITUEE-BNSHTTSQSA-N
XLogP1.78
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.28
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[2-(bromomethyl)phenyl]-2-ethoxyiminoacetate
CID 142629069
(2E)-2-ethoxyimino-2-(2-methylphenyl)acetamide
CID 155375401
(2Z)-2-ethoxyimino-2-(2-methylphenyl)acetamide
CID 155375402
methyl (2Z)-2-[2-(chloromethyl)phenyl]-2-methoxyiminoacetate
CID 11064561
methyl 2-chloro-N-ethoxybenzenecarboximidate
CID 54027994
2-[2-(chloromethyl)phenyl]-2-ethoxyiminoacetic acid
CID 53394940
(2E)-2-[2-(chloromethyl)phenyl]-2-ethoxyiminoacetic acid
CID 45108226
methyl 2-methoxyimino-2-[2-(3-oxoprop-1-enyl)phenyl]acetate
CID 54460534
(2Z)-2-ethoxyimino-2-phenylacetamide
CID 6063894
methyl 2-[2-[[(1-chloro-2-methoxyiminobutylidene)amino]oxymethyl]phenyl]-2-methoxyiminoacetate
CID 85387157
2-ethoxyimino-2-(2-phenoxyphenyl)acetamide
CID 73413307
(2Z)-2-ethoxyimino-N-[[(E)-N-ethoxy-C-phenylcarbonimidoyl]carbamoyl]-2-phenylacetamide
CID 135713827

Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2-ethoxyimino-2-(2-methanidylphenyl)acetate;uranium?
The IUPAC name of methyl (2E)-2-ethoxyimino-2-(2-methanidylphenyl)acetate;uranium (CID 59896432) is methyl (2E)-2-ethoxyimino-2-(2-methanidylphenyl)acetate;uranium.
What is the SMILES notation for methyl (2E)-2-ethoxyimino-2-(2-methanidylphenyl)acetate;uranium?
The canonical SMILES for methyl (2E)-2-ethoxyimino-2-(2-methanidylphenyl)acetate;uranium is [CH2-]c1ccccc1/C(=N\OCC)C(=O)OC.[U].
What is the InChIKey of methyl (2E)-2-ethoxyimino-2-(2-methanidylphenyl)acetate;uranium?
The InChIKey is YKAQAPFWQITUEE-BNSHTTSQSA-N. The full InChI is InChI=1S/C12H14NO3.U/c1-4-16-13-11(12(14)15-3)10-8-6-5-7-9(10)2;/h5-8H,2,4H2,1,3H3;/q-1;/b13-11+;.
What are the key properties of methyl (2E)-2-ethoxyimino-2-(2-methanidylphenyl)acetate;uranium?
methyl (2E)-2-ethoxyimino-2-(2-methanidylphenyl)acetate;uranium has a molecular weight of 458.28 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-ethoxyimino-2-(2-methanidylphenyl)acetate;uranium is sourced from PubChem (CID 59896432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).