ethyl 2-chlorooxyethanimidate

C4H8ClNO2 — CID 87297173

IUPACethyl 2-chlorooxyethanimidate
SMILES[H]/N=C(\COCl)OCC
InChIInChI=1S/C4H8ClNO2/c1-2-7-4(6)3-8-5/h6H,2-3H2,1H3/b6-4+
InChIKeyKIOPMHHHUAHUOH-GQCTYLIASA-N
MW137.57 g/mol
LogP1.17
Rot. Bonds3

About ethyl 2-chlorooxyethanimidate

ethyl 2-chlorooxyethanimidate (PubChem CID 87297173) has the molecular formula C4H8ClNO2 and a molecular weight of 137.57 g/mol. Its IUPAC name is ethyl 2-chlorooxyethanimidate.

Molecular Properties

Compound Nameethyl 2-chlorooxyethanimidate
PubChem CID87297173
Molecular FormulaC4H8ClNO2
Molecular Weight137.57 g/mol
Exact Mass137.02
IUPAC Nameethyl 2-chlorooxyethanimidate
SMILES[H]/N=C(\COCl)OCC
InChIInChI=1S/C4H8ClNO2/c1-2-7-4(6)3-8-5/h6H,2-3H2,1H3/b6-4+
InChIKeyKIOPMHHHUAHUOH-GQCTYLIASA-N
XLogP1.17
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.57
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethyl 5-chloropentanimidate
CID 13163353
ethyl 4-bromobutanimidate;hydrochloride
CID 75357912
ethyl 2-propylsulfanylethanimidate
CID 65128997
ethyl 2-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]oxyethanimidate
CID 89311713
ethyl 6-amino-6-oxohexanimidate;hydrochloride
CID 87460116
2-ethoxyethanimidoyl chloride
CID 175467520
ethyl 2-[(S)-tert-butylsulfinyl]ethanimidate
CID 175191176
ethyl 3-ethoxy-3-iminopropanoate;propanoic acid;hydrochloride
CID 160619856
ethyl 2-(2-methylpropanoylamino)ethanimidate
CID 45122879
ethyl 2-(4-fluorophenyl)ethanimidate
CID 11736097
ethyl 2-(2,4-dichlorophenyl)ethanimidate;hydrochloride
CID 12689988
ethyl 3-phenoxypropanimidate
CID 55267889

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chlorooxyethanimidate?
The IUPAC name of ethyl 2-chlorooxyethanimidate (CID 87297173) is ethyl 2-chlorooxyethanimidate.
What is the SMILES notation for ethyl 2-chlorooxyethanimidate?
The canonical SMILES for ethyl 2-chlorooxyethanimidate is [H]/N=C(\COCl)OCC.
What is the InChIKey of ethyl 2-chlorooxyethanimidate?
The InChIKey is KIOPMHHHUAHUOH-GQCTYLIASA-N. The full InChI is InChI=1S/C4H8ClNO2/c1-2-7-4(6)3-8-5/h6H,2-3H2,1H3/b6-4+.
What are the key properties of ethyl 2-chlorooxyethanimidate?
ethyl 2-chlorooxyethanimidate has a molecular weight of 137.57 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chlorooxyethanimidate is sourced from PubChem (CID 87297173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).