ethyl (1E)-N-hydroxyethanimidate

C4H9NO2 — CID 5363167

IUPACethyl (1E)-N-hydroxyethanimidate
SMILESCCO/C(C)=N/O
InChIInChI=1S/C4H9NO2/c1-3-7-4(2)5-6/h6H,3H2,1-2H3/b5-4+
InChIKeyQWKAVVNRCKPKNM-SNAWJCMRSA-N
MW103.12 g/mol
LogP0.83
Rot. Bonds1

About ethyl (1E)-N-hydroxyethanimidate

ethyl (1E)-N-hydroxyethanimidate (PubChem CID 5363167) has the molecular formula C4H9NO2 and a molecular weight of 103.12 g/mol. Its IUPAC name is ethyl (1E)-N-hydroxyethanimidate.

Molecular Properties

Compound Nameethyl (1E)-N-hydroxyethanimidate
PubChem CID5363167
Molecular FormulaC4H9NO2
Molecular Weight103.12 g/mol
Exact Mass103.06
IUPAC Nameethyl (1E)-N-hydroxyethanimidate
SMILESCCO/C(C)=N/O
InChIInChI=1S/C4H9NO2/c1-3-7-4(2)5-6/h6H,3H2,1-2H3/b5-4+
InChIKeyQWKAVVNRCKPKNM-SNAWJCMRSA-N
XLogP0.83
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 50.83
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl (NZ,1E)-N-(1-ethoxyethylidene)ethanehydrazonate
CID 13199093
ethyl (1E)-ethanehydrazonate
CID 57432796
ethyl (1E)-N-propan-2-ylideneethanehydrazonate
CID 131862809
ethyl N-acetylethanimidate
CID 10011919
ethyl 2-hydroxyiminopropanoate
CID 6399798
diethyl N,N'-dihydroxypropanediimidate
CID 174681376
ethyl (NE,1Z)-N-(1-ethoxyethylidene)propanehydrazonate
CID 134986578
acetic acid;diethyl 2-hydroxyiminopropanedioate
CID 6400145
ethyl (1Z)-N-hydroxy-2-iodoethanimidate
CID 126725642
ethyl N-dihydroxyphosphinothioyloxyethanimidate
CID 88700961
ethyl N-(methylcarbamoyl)ethanimidate
CID 71371066
ethyl 2-oxopropanoate;nitrous acid
CID 174912891

Frequently Asked Questions

What is the IUPAC name of ethyl (1E)-N-hydroxyethanimidate?
The IUPAC name of ethyl (1E)-N-hydroxyethanimidate (CID 5363167) is ethyl (1E)-N-hydroxyethanimidate.
What is the SMILES notation for ethyl (1E)-N-hydroxyethanimidate?
The canonical SMILES for ethyl (1E)-N-hydroxyethanimidate is CCO/C(C)=N/O.
What is the InChIKey of ethyl (1E)-N-hydroxyethanimidate?
The InChIKey is QWKAVVNRCKPKNM-SNAWJCMRSA-N. The full InChI is InChI=1S/C4H9NO2/c1-3-7-4(2)5-6/h6H,3H2,1-2H3/b5-4+.
What are the key properties of ethyl (1E)-N-hydroxyethanimidate?
ethyl (1E)-N-hydroxyethanimidate has a molecular weight of 103.12 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1E)-N-hydroxyethanimidate is sourced from PubChem (CID 5363167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).