ethyl (2Z)-2-propoxyiminopropanoate

C8H15NO3 — CID 58567423

IUPACethyl (2Z)-2-propoxyiminopropanoate
SMILESCCCO/N=C(/C)C(=O)OCC
InChIInChI=1S/C8H15NO3/c1-4-6-12-9-7(3)8(10)11-5-2/h4-6H2,1-3H3/b9-7-
InChIKeyOTZBSAGZALIINO-CLFYSBASSA-N
MW173.21 g/mol
LogP1.35
Rot. Bonds5

About ethyl (2Z)-2-propoxyiminopropanoate

ethyl (2Z)-2-propoxyiminopropanoate (PubChem CID 58567423) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is ethyl (2Z)-2-propoxyiminopropanoate.

Molecular Properties

Compound Nameethyl (2Z)-2-propoxyiminopropanoate
PubChem CID58567423
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Nameethyl (2Z)-2-propoxyiminopropanoate
SMILESCCCO/N=C(/C)C(=O)OCC
InChIInChI=1S/C8H15NO3/c1-4-6-12-9-7(3)8(10)11-5-2/h4-6H2,1-3H3/b9-7-
InChIKeyOTZBSAGZALIINO-CLFYSBASSA-N
XLogP1.35
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

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
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
fluoromethyl (2E)-2-methoxyiminopropanoate
CID 89098176

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-propoxyiminopropanoate?
The IUPAC name of ethyl (2Z)-2-propoxyiminopropanoate (CID 58567423) is ethyl (2Z)-2-propoxyiminopropanoate.
What is the SMILES notation for ethyl (2Z)-2-propoxyiminopropanoate?
The canonical SMILES for ethyl (2Z)-2-propoxyiminopropanoate is CCCO/N=C(/C)C(=O)OCC.
What is the InChIKey of ethyl (2Z)-2-propoxyiminopropanoate?
The InChIKey is OTZBSAGZALIINO-CLFYSBASSA-N. The full InChI is InChI=1S/C8H15NO3/c1-4-6-12-9-7(3)8(10)11-5-2/h4-6H2,1-3H3/b9-7-.
What are the key properties of ethyl (2Z)-2-propoxyiminopropanoate?
ethyl (2Z)-2-propoxyiminopropanoate has a molecular weight of 173.21 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-propoxyiminopropanoate is sourced from PubChem (CID 58567423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).