ethyl (2Z)-2-ethoxyiminopropanoate

C7H13NO3 — CID 59870363

IUPACethyl (2Z)-2-ethoxyiminopropanoate
SMILESCCO/N=C(/C)C(=O)OCC
InChIInChI=1S/C7H13NO3/c1-4-10-7(9)6(3)8-11-5-2/h4-5H2,1-3H3/b8-6-
InChIKeyGNWIMROJGRDWTK-VURMDHGXSA-N
MW159.18 g/mol
LogP0.96
Rot. Bonds4

About ethyl (2Z)-2-ethoxyiminopropanoate

ethyl (2Z)-2-ethoxyiminopropanoate (PubChem CID 59870363) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is ethyl (2Z)-2-ethoxyiminopropanoate.

Molecular Properties

Compound Nameethyl (2Z)-2-ethoxyiminopropanoate
PubChem CID59870363
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Nameethyl (2Z)-2-ethoxyiminopropanoate
SMILESCCO/N=C(/C)C(=O)OCC
InChIInChI=1S/C7H13NO3/c1-4-10-7(9)6(3)8-11-5-2/h4-5H2,1-3H3/b8-6-
InChIKeyGNWIMROJGRDWTK-VURMDHGXSA-N
XLogP0.96
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.96
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-ethoxyiminopropanoate?
The IUPAC name of ethyl (2Z)-2-ethoxyiminopropanoate (CID 59870363) is ethyl (2Z)-2-ethoxyiminopropanoate.
What is the SMILES notation for ethyl (2Z)-2-ethoxyiminopropanoate?
The canonical SMILES for ethyl (2Z)-2-ethoxyiminopropanoate is CCO/N=C(/C)C(=O)OCC.
What is the InChIKey of ethyl (2Z)-2-ethoxyiminopropanoate?
The InChIKey is GNWIMROJGRDWTK-VURMDHGXSA-N. The full InChI is InChI=1S/C7H13NO3/c1-4-10-7(9)6(3)8-11-5-2/h4-5H2,1-3H3/b8-6-.
What are the key properties of ethyl (2Z)-2-ethoxyiminopropanoate?
ethyl (2Z)-2-ethoxyiminopropanoate has a molecular weight of 159.18 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-ethoxyiminopropanoate is sourced from PubChem (CID 59870363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).