ethyl 3-ethoxyiminopropanoate;hydrochloride

C7H14ClNO3 — CID 87356434

IUPACethyl 3-ethoxyiminopropanoate;hydrochloride
SMILESCCON=CCC(=O)OCC.Cl
InChIInChI=1S/C7H13NO3.ClH/c1-3-10-7(9)5-6-8-11-4-2;/h6H,3-5H2,1-2H3;1H
InChIKeyBGKZNFSSPFZTFU-UHFFFAOYSA-N
MW195.65 g/mol
LogP1.38
Rot. Bonds5

About ethyl 3-ethoxyiminopropanoate;hydrochloride

ethyl 3-ethoxyiminopropanoate;hydrochloride (PubChem CID 87356434) has the molecular formula C7H14ClNO3 and a molecular weight of 195.65 g/mol. Its IUPAC name is ethyl 3-ethoxyiminopropanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 3-ethoxyiminopropanoate;hydrochloride
PubChem CID87356434
Molecular FormulaC7H14ClNO3
Molecular Weight195.65 g/mol
Exact Mass195.07
IUPAC Nameethyl 3-ethoxyiminopropanoate;hydrochloride
SMILESCCON=CCC(=O)OCC.Cl
InChIInChI=1S/C7H13NO3.ClH/c1-3-10-7(9)5-6-8-11-4-2;/h6H,3-5H2,1-2H3;1H
InChIKeyBGKZNFSSPFZTFU-UHFFFAOYSA-N
XLogP1.38
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 51.38
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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Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethoxyiminopropanoate;hydrochloride?
The IUPAC name of ethyl 3-ethoxyiminopropanoate;hydrochloride (CID 87356434) is ethyl 3-ethoxyiminopropanoate;hydrochloride.
What is the SMILES notation for ethyl 3-ethoxyiminopropanoate;hydrochloride?
The canonical SMILES for ethyl 3-ethoxyiminopropanoate;hydrochloride is CCON=CCC(=O)OCC.Cl.
What is the InChIKey of ethyl 3-ethoxyiminopropanoate;hydrochloride?
The InChIKey is BGKZNFSSPFZTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3.ClH/c1-3-10-7(9)5-6-8-11-4-2;/h6H,3-5H2,1-2H3;1H.
What are the key properties of ethyl 3-ethoxyiminopropanoate;hydrochloride?
ethyl 3-ethoxyiminopropanoate;hydrochloride has a molecular weight of 195.65 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethoxyiminopropanoate;hydrochloride is sourced from PubChem (CID 87356434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).