ethyl (2Z)-2-methoxyiminopropanoate

C6H11NO3 — CID 59870362

IUPACethyl (2Z)-2-methoxyiminopropanoate
SMILESCCOC(=O)/C(C)=N\OC
InChIInChI=1S/C6H11NO3/c1-4-10-6(8)5(2)7-9-3/h4H2,1-3H3/b7-5-
InChIKeyIUFUCDQOMAJCJG-ALCCZGGFSA-N
MW145.16 g/mol
LogP0.57
Rot. Bonds3

About ethyl (2Z)-2-methoxyiminopropanoate

ethyl (2Z)-2-methoxyiminopropanoate (PubChem CID 59870362) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is ethyl (2Z)-2-methoxyiminopropanoate.

Molecular Properties

Compound Nameethyl (2Z)-2-methoxyiminopropanoate
PubChem CID59870362
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Nameethyl (2Z)-2-methoxyiminopropanoate
SMILESCCOC(=O)/C(C)=N\OC
InChIInChI=1S/C6H11NO3/c1-4-10-6(8)5(2)7-9-3/h4H2,1-3H3/b7-5-
InChIKeyIUFUCDQOMAJCJG-ALCCZGGFSA-N
XLogP0.57
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.57
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

Ethyl 2-hydroxyiminopropionate
CID 9614318
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
propanoic acid, 3-bromo-2-(hydroxyimino)-, ethyl ester, (2E)-
CID 11085069
Ethyl 3-(hydroxyimino)butanoate
CID 226763
Propanoic acid, 3-bromo-2-(hydroxyimino)-, ethyl ester
CID 11009179
3-Ethoxycarbonyl-4,5-dihydroisoxazole
CID 21676605
Ethyl 3-bromo-2-(hydroxyimino)propanoate
CID 53428735
2-Diazonio-1-ethoxyprop-1-en-1-olate
CID 53440922

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-methoxyiminopropanoate?
The IUPAC name of ethyl (2Z)-2-methoxyiminopropanoate (CID 59870362) is ethyl (2Z)-2-methoxyiminopropanoate.
What is the SMILES notation for ethyl (2Z)-2-methoxyiminopropanoate?
The canonical SMILES for ethyl (2Z)-2-methoxyiminopropanoate is CCOC(=O)/C(C)=N\OC.
What is the InChIKey of ethyl (2Z)-2-methoxyiminopropanoate?
The InChIKey is IUFUCDQOMAJCJG-ALCCZGGFSA-N. The full InChI is InChI=1S/C6H11NO3/c1-4-10-6(8)5(2)7-9-3/h4H2,1-3H3/b7-5-.
What are the key properties of ethyl (2Z)-2-methoxyiminopropanoate?
ethyl (2Z)-2-methoxyiminopropanoate has a molecular weight of 145.16 g/mol, XLogP of 0.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-methoxyiminopropanoate is sourced from PubChem (CID 59870362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).