ethyl (1Z)-N-hydroxy-2-iodoethanimidate

C4H8INO2 — CID 126725642

IUPACethyl (1Z)-N-hydroxy-2-iodoethanimidate
SMILESCCO/C(CI)=N\O
InChIInChI=1S/C4H8INO2/c1-2-8-4(3-5)6-7/h7H,2-3H2,1H3/b6-4-
InChIKeyNCDHPSIGBHBEIV-XQRVVYSFSA-N
MW229.02 g/mol
LogP1.25
Rot. Bonds2

About ethyl (1Z)-N-hydroxy-2-iodoethanimidate

ethyl (1Z)-N-hydroxy-2-iodoethanimidate (PubChem CID 126725642) has the molecular formula C4H8INO2 and a molecular weight of 229.02 g/mol. Its IUPAC name is ethyl (1Z)-N-hydroxy-2-iodoethanimidate.

Molecular Properties

Compound Nameethyl (1Z)-N-hydroxy-2-iodoethanimidate
PubChem CID126725642
Molecular FormulaC4H8INO2
Molecular Weight229.02 g/mol
Exact Mass228.96
IUPAC Nameethyl (1Z)-N-hydroxy-2-iodoethanimidate
SMILESCCO/C(CI)=N\O
InChIInChI=1S/C4H8INO2/c1-2-8-4(3-5)6-7/h7H,2-3H2,1H3/b6-4-
InChIKeyNCDHPSIGBHBEIV-XQRVVYSFSA-N
XLogP1.25
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.02
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

Analyze ethyl (1Z)-N-hydroxy-2-iodoethanimidate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diethyl N,N'-dihydroxypropanediimidate
CID 174681376
ethyl N-hydroxypentanimidate
CID 173290814
ethyl 3-ethoxy-3-hydroxyiminopropanoate
CID 88785854
ethyl (1E)-N-hydroxyethanimidate
CID 5363167
ethyl (1E,2S)-2-amino-N-hydroxypropanimidate
CID 55285028
ethyl (2E)-2-amino-2-hydroxyiminoacetate
CID 6411350
ethyl 2-hydroxyiminopropanoate
CID 6399798
ethyl (2E)-2-hydroxyiminobut-3-enoate
CID 138059477
ethyl 2-iodo-2-oxoacetate
CID 13205341
ethyl carbamate
CID 21202847
ethyl carbamate
CID 161409576
ethyl carbamate
CID 158786750

Frequently Asked Questions

What is the IUPAC name of ethyl (1Z)-N-hydroxy-2-iodoethanimidate?
The IUPAC name of ethyl (1Z)-N-hydroxy-2-iodoethanimidate (CID 126725642) is ethyl (1Z)-N-hydroxy-2-iodoethanimidate.
What is the SMILES notation for ethyl (1Z)-N-hydroxy-2-iodoethanimidate?
The canonical SMILES for ethyl (1Z)-N-hydroxy-2-iodoethanimidate is CCO/C(CI)=N\O.
What is the InChIKey of ethyl (1Z)-N-hydroxy-2-iodoethanimidate?
The InChIKey is NCDHPSIGBHBEIV-XQRVVYSFSA-N. The full InChI is InChI=1S/C4H8INO2/c1-2-8-4(3-5)6-7/h7H,2-3H2,1H3/b6-4-.
What are the key properties of ethyl (1Z)-N-hydroxy-2-iodoethanimidate?
ethyl (1Z)-N-hydroxy-2-iodoethanimidate has a molecular weight of 229.02 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1Z)-N-hydroxy-2-iodoethanimidate is sourced from PubChem (CID 126725642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).