(Z)-2-iodoethoxyimino-methyl-oxidoazanium

C3H7IN2O2 — CID 28693830

IUPAC(Z)-2-iodoethoxyimino-methyl-oxidoazanium
SMILESC/[N+]([O-])=N/OCCI
InChIInChI=1S/C3H7IN2O2/c1-6(7)5-8-3-2-4/h2-3H2,1H3/b6-5-
InChIKeyQMYNFRBULSHIJU-WAYWQWQTSA-N
MW230.00 g/mol
LogP0.95
Rot. Bonds3

About (Z)-2-iodoethoxyimino-methyl-oxidoazanium

(Z)-2-iodoethoxyimino-methyl-oxidoazanium (PubChem CID 28693830) has the molecular formula C3H7IN2O2 and a molecular weight of 230.00 g/mol. Its IUPAC name is (Z)-2-iodoethoxyimino-methyl-oxidoazanium.

Molecular Properties

Compound Name(Z)-2-iodoethoxyimino-methyl-oxidoazanium
PubChem CID28693830
Molecular FormulaC3H7IN2O2
Molecular Weight230.00 g/mol
Exact Mass229.96
IUPAC Name(Z)-2-iodoethoxyimino-methyl-oxidoazanium
SMILESC/[N+]([O-])=N/OCCI
InChIInChI=1S/C3H7IN2O2/c1-6(7)5-8-3-2-4/h2-3H2,1H3/b6-5-
InChIKeyQMYNFRBULSHIJU-WAYWQWQTSA-N
XLogP0.95
TPSA47.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.00
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-iodoethoxyimino-methyl-oxidoazanium?
The IUPAC name of (Z)-2-iodoethoxyimino-methyl-oxidoazanium (CID 28693830) is (Z)-2-iodoethoxyimino-methyl-oxidoazanium.
What is the SMILES notation for (Z)-2-iodoethoxyimino-methyl-oxidoazanium?
The canonical SMILES for (Z)-2-iodoethoxyimino-methyl-oxidoazanium is C/[N+]([O-])=N/OCCI.
What is the InChIKey of (Z)-2-iodoethoxyimino-methyl-oxidoazanium?
The InChIKey is QMYNFRBULSHIJU-WAYWQWQTSA-N. The full InChI is InChI=1S/C3H7IN2O2/c1-6(7)5-8-3-2-4/h2-3H2,1H3/b6-5-.
What are the key properties of (Z)-2-iodoethoxyimino-methyl-oxidoazanium?
(Z)-2-iodoethoxyimino-methyl-oxidoazanium has a molecular weight of 230.00 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-iodoethoxyimino-methyl-oxidoazanium is sourced from PubChem (CID 28693830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).