[[methoxy(oxido)azaniumyl]-methylazaniumyl]methane iodide

C3H11IN2O2 — CID 163473327

IUPAC[[methoxy(oxido)azaniumyl]-methylazaniumyl]methane iodide
SMILESCO[NH+]([O-])[NH+](C)C.[I-]
InChIInChI=1S/C3H11N2O2.HI/c1-4(2)5(6)7-3;/h4-5H,1-3H3;1H/q+1;/p-1
InChIKeyYWLOBKSPNGFPOM-UHFFFAOYSA-M
MW234.04 g/mol
LogP-6.01
Rot. Bonds2

About [[methoxy(oxido)azaniumyl]-methylazaniumyl]methane iodide

[[methoxy(oxido)azaniumyl]-methylazaniumyl]methane iodide (PubChem CID 163473327) has the molecular formula C3H11IN2O2 and a molecular weight of 234.04 g/mol. Its IUPAC name is [[methoxy(oxido)azaniumyl]-methylazaniumyl]methane iodide.

Molecular Properties

Compound Name[[methoxy(oxido)azaniumyl]-methylazaniumyl]methane iodide
PubChem CID163473327
Molecular FormulaC3H11IN2O2
Molecular Weight234.04 g/mol
Exact Mass233.99
IUPAC Name[[methoxy(oxido)azaniumyl]-methylazaniumyl]methane iodide
SMILESCO[NH+]([O-])[NH+](C)C.[I-]
InChIInChI=1S/C3H11N2O2.HI/c1-4(2)5(6)7-3;/h4-5H,1-3H3;1H/q+1;/p-1
InChIKeyYWLOBKSPNGFPOM-UHFFFAOYSA-M
XLogP-6.01
TPSA41.17 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.04
LogP ≤ 5-6.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[methoxy(oxido)azaniumyl]-methylazaniumyl]methane iodide?
The IUPAC name of [[methoxy(oxido)azaniumyl]-methylazaniumyl]methane iodide (CID 163473327) is [[methoxy(oxido)azaniumyl]-methylazaniumyl]methane iodide.
What is the SMILES notation for [[methoxy(oxido)azaniumyl]-methylazaniumyl]methane iodide?
The canonical SMILES for [[methoxy(oxido)azaniumyl]-methylazaniumyl]methane iodide is CO[NH+]([O-])[NH+](C)C.[I-].
What is the InChIKey of [[methoxy(oxido)azaniumyl]-methylazaniumyl]methane iodide?
The InChIKey is YWLOBKSPNGFPOM-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H11N2O2.HI/c1-4(2)5(6)7-3;/h4-5H,1-3H3;1H/q+1;/p-1.
What are the key properties of [[methoxy(oxido)azaniumyl]-methylazaniumyl]methane iodide?
[[methoxy(oxido)azaniumyl]-methylazaniumyl]methane iodide has a molecular weight of 234.04 g/mol, XLogP of -6.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[methoxy(oxido)azaniumyl]-methylazaniumyl]methane iodide is sourced from PubChem (CID 163473327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).