cyclopropyloxy(oxido)azanium iodide

C3H7INO2- — CID 163716497

IUPACcyclopropyloxy(oxido)azanium iodide
SMILES[I-].[O-][NH2+]OC1CC1
InChIInChI=1S/C3H7NO2.HI/c5-4-6-3-1-2-3;/h3H,1-2,4H2;1H/p-1
InChIKeyOZVIJILQTMHNKY-UHFFFAOYSA-M
MW216.00 g/mol
LogP-3.85
Rot. Bonds2

About cyclopropyloxy(oxido)azanium iodide

cyclopropyloxy(oxido)azanium iodide (PubChem CID 163716497) has the molecular formula C3H7INO2- and a molecular weight of 216.00 g/mol. Its IUPAC name is cyclopropyloxy(oxido)azanium iodide.

Molecular Properties

Compound Namecyclopropyloxy(oxido)azanium iodide
PubChem CID163716497
Molecular FormulaC3H7INO2-
Molecular Weight216.00 g/mol
Exact Mass215.95
IUPAC Namecyclopropyloxy(oxido)azanium iodide
SMILES[I-].[O-][NH2+]OC1CC1
InChIInChI=1S/C3H7NO2.HI/c5-4-6-3-1-2-3;/h3H,1-2,4H2;1H/p-1
InChIKeyOZVIJILQTMHNKY-UHFFFAOYSA-M
XLogP-3.85
TPSA48.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.00
LogP ≤ 5-3.85
H-Bond Donors ≤ 51
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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Related Compounds

O-Cyclopropylhydroxylamine
CID 21877585
(Dihydroxyamino)oxycyclopropane
CID 66827935
(Oxidoamino)oxycyclopropane
CID 163716498

Frequently Asked Questions

What is the IUPAC name of cyclopropyloxy(oxido)azanium iodide?
The IUPAC name of cyclopropyloxy(oxido)azanium iodide (CID 163716497) is cyclopropyloxy(oxido)azanium iodide.
What is the SMILES notation for cyclopropyloxy(oxido)azanium iodide?
The canonical SMILES for cyclopropyloxy(oxido)azanium iodide is [I-].[O-][NH2+]OC1CC1.
What is the InChIKey of cyclopropyloxy(oxido)azanium iodide?
The InChIKey is OZVIJILQTMHNKY-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7NO2.HI/c5-4-6-3-1-2-3;/h3H,1-2,4H2;1H/p-1.
What are the key properties of cyclopropyloxy(oxido)azanium iodide?
cyclopropyloxy(oxido)azanium iodide has a molecular weight of 216.00 g/mol, XLogP of -3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyloxy(oxido)azanium iodide is sourced from PubChem (CID 163716497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).