ethyl (2Z)-2-acetyloxyiminopropanoate

C7H11NO4 — CID 58619061

IUPACethyl (2Z)-2-acetyloxyiminopropanoate
SMILESCCOC(=O)/C(C)=N\OC(C)=O
InChIInChI=1S/C7H11NO4/c1-4-11-7(10)5(2)8-12-6(3)9/h4H2,1-3H3/b8-5-
InChIKeyZLZKYUGUGMMAML-YVMONPNESA-N
MW173.17 g/mol
LogP0.49
Rot. Bonds3

About ethyl (2Z)-2-acetyloxyiminopropanoate

ethyl (2Z)-2-acetyloxyiminopropanoate (PubChem CID 58619061) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is ethyl (2Z)-2-acetyloxyiminopropanoate.

Molecular Properties

Compound Nameethyl (2Z)-2-acetyloxyiminopropanoate
PubChem CID58619061
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Nameethyl (2Z)-2-acetyloxyiminopropanoate
SMILESCCOC(=O)/C(C)=N\OC(C)=O
InChIInChI=1S/C7H11NO4/c1-4-11-7(10)5(2)8-12-6(3)9/h4H2,1-3H3/b8-5-
InChIKeyZLZKYUGUGMMAML-YVMONPNESA-N
XLogP0.49
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-hydroxyiminopropionate
CID 9614318
Diethyl (hydroxyimino)malonate
CID 6399380
Methyl 2-(hydroxyimino)propanoate
CID 9602163
2-Oxobutyric acid, ethyl ester oxime
CID 6412494
ethyl (2E)-2-hydroxyiminobutanoate
CID 6797161
Ethyl-2-hydroxyiminopropionate
CID 6399798
ethyl (2Z)-2-hydroxyiminopropanoate
CID 6405273
Diethyl 2-(methoxyimino)malonate
CID 533643
Methyl 2-hydroxyiminopropanoate
CID 71435832
Ethyl 3-(methoxyimino)butanoate
CID 73185894
Acetoneoxime acetate
CID 129689585
Acetoxime isobutyrate
CID 129695371

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-acetyloxyiminopropanoate?
The IUPAC name of ethyl (2Z)-2-acetyloxyiminopropanoate (CID 58619061) is ethyl (2Z)-2-acetyloxyiminopropanoate.
What is the SMILES notation for ethyl (2Z)-2-acetyloxyiminopropanoate?
The canonical SMILES for ethyl (2Z)-2-acetyloxyiminopropanoate is CCOC(=O)/C(C)=N\OC(C)=O.
What is the InChIKey of ethyl (2Z)-2-acetyloxyiminopropanoate?
The InChIKey is ZLZKYUGUGMMAML-YVMONPNESA-N. The full InChI is InChI=1S/C7H11NO4/c1-4-11-7(10)5(2)8-12-6(3)9/h4H2,1-3H3/b8-5-.
What are the key properties of ethyl (2Z)-2-acetyloxyiminopropanoate?
ethyl (2Z)-2-acetyloxyiminopropanoate has a molecular weight of 173.17 g/mol, XLogP of 0.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-acetyloxyiminopropanoate is sourced from PubChem (CID 58619061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).