ethyl 2-(2-chloroethylideneamino)oxyacetate

C6H10ClNO3 — CID 54264942

IUPACethyl 2-(2-chloroethylideneamino)oxyacetate
SMILESCCOC(=O)CON=CCCl
InChIInChI=1S/C6H10ClNO3/c1-2-10-6(9)5-11-8-4-3-7/h4H,2-3,5H2,1H3
InChIKeyRGCNKCIYUSRACS-UHFFFAOYSA-N
MW179.60 g/mol
LogP0.79
Rot. Bonds5

About ethyl 2-(2-chloroethylideneamino)oxyacetate

ethyl 2-(2-chloroethylideneamino)oxyacetate (PubChem CID 54264942) has the molecular formula C6H10ClNO3 and a molecular weight of 179.60 g/mol. Its IUPAC name is ethyl 2-(2-chloroethylideneamino)oxyacetate.

Molecular Properties

Compound Nameethyl 2-(2-chloroethylideneamino)oxyacetate
PubChem CID54264942
Molecular FormulaC6H10ClNO3
Molecular Weight179.60 g/mol
Exact Mass179.03
IUPAC Nameethyl 2-(2-chloroethylideneamino)oxyacetate
SMILESCCOC(=O)CON=CCCl
InChIInChI=1S/C6H10ClNO3/c1-2-10-6(9)5-11-8-4-3-7/h4H,2-3,5H2,1H3
InChIKeyRGCNKCIYUSRACS-UHFFFAOYSA-N
XLogP0.79
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.60
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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-[(E)-dimethylaminomethylideneamino]oxyacetate
CID 91695688
ethyl 4-(3-chloro-2,3-dioxopropoxy)iminobutanoate
CID 173397580
ethyl 2-[(Z)-4-chlorobut-2-enoxy]acetate
CID 57473593
ethyl 2-[(E)-(2,4-dichlorophenyl)methylideneamino]oxyacetate
CID 173365405
ethyl 2-chloroacetate
CID 7751
ethyl 2-carbonochloridoyloxyacetate
CID 13397505
ethyl N-(2-chloroethylideneamino)carbamate
CID 3017310
benzene;ethyl 2-ethoxyacetate
CID 174867683
bis(2-ethoxy-2-oxoethyl) (Z)-but-2-enedioate
CID 139903578
(2-ethoxy-2-oxoethyl) propanoate
CID 13301802
ethoxyethane;bis(ethyl 2-ethoxyacetate)
CID 160643191
CID 172843337
CID 172843337

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-chloroethylideneamino)oxyacetate?
The IUPAC name of ethyl 2-(2-chloroethylideneamino)oxyacetate (CID 54264942) is ethyl 2-(2-chloroethylideneamino)oxyacetate.
What is the SMILES notation for ethyl 2-(2-chloroethylideneamino)oxyacetate?
The canonical SMILES for ethyl 2-(2-chloroethylideneamino)oxyacetate is CCOC(=O)CON=CCCl.
What is the InChIKey of ethyl 2-(2-chloroethylideneamino)oxyacetate?
The InChIKey is RGCNKCIYUSRACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClNO3/c1-2-10-6(9)5-11-8-4-3-7/h4H,2-3,5H2,1H3.
What are the key properties of ethyl 2-(2-chloroethylideneamino)oxyacetate?
ethyl 2-(2-chloroethylideneamino)oxyacetate has a molecular weight of 179.60 g/mol, XLogP of 0.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-chloroethylideneamino)oxyacetate is sourced from PubChem (CID 54264942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).