cyclobutane;hydroxymethyl(trimethyl)azanium;iodide

C8H20INO — CID 175323903

IUPACcyclobutane;hydroxymethyl(trimethyl)azanium;iodide
SMILESC1CCC1.C[N+](C)(C)CO.[I-]
InChIInChI=1S/C4H12NO.C4H8.HI/c1-5(2,3)4-6;1-2-4-3-1;/h6H,4H2,1-3H3;1-4H2;1H/q+1;;/p-1
InChIKeyZUDYKINMZIKIEG-UHFFFAOYSA-M
MW273.16 g/mol
LogP-1.79
Rot. Bonds1

About cyclobutane;hydroxymethyl(trimethyl)azanium;iodide

cyclobutane;hydroxymethyl(trimethyl)azanium;iodide (PubChem CID 175323903) has the molecular formula C8H20INO and a molecular weight of 273.16 g/mol. Its IUPAC name is cyclobutane;hydroxymethyl(trimethyl)azanium;iodide.

Molecular Properties

Compound Namecyclobutane;hydroxymethyl(trimethyl)azanium;iodide
PubChem CID175323903
Molecular FormulaC8H20INO
Molecular Weight273.16 g/mol
Exact Mass273.06
IUPAC Namecyclobutane;hydroxymethyl(trimethyl)azanium;iodide
SMILESC1CCC1.C[N+](C)(C)CO.[I-]
InChIInChI=1S/C4H12NO.C4H8.HI/c1-5(2,3)4-6;1-2-4-3-1;/h6H,4H2,1-3H3;1-4H2;1H/q+1;;/p-1
InChIKeyZUDYKINMZIKIEG-UHFFFAOYSA-M
XLogP-1.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 5-1.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclobutane;hydroxymethyl(trimethyl)azanium;iodide?
The IUPAC name of cyclobutane;hydroxymethyl(trimethyl)azanium;iodide (CID 175323903) is cyclobutane;hydroxymethyl(trimethyl)azanium;iodide.
What is the SMILES notation for cyclobutane;hydroxymethyl(trimethyl)azanium;iodide?
The canonical SMILES for cyclobutane;hydroxymethyl(trimethyl)azanium;iodide is C1CCC1.C[N+](C)(C)CO.[I-].
What is the InChIKey of cyclobutane;hydroxymethyl(trimethyl)azanium;iodide?
The InChIKey is ZUDYKINMZIKIEG-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H12NO.C4H8.HI/c1-5(2,3)4-6;1-2-4-3-1;/h6H,4H2,1-3H3;1-4H2;1H/q+1;;/p-1.
What are the key properties of cyclobutane;hydroxymethyl(trimethyl)azanium;iodide?
cyclobutane;hydroxymethyl(trimethyl)azanium;iodide has a molecular weight of 273.16 g/mol, XLogP of -1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane;hydroxymethyl(trimethyl)azanium;iodide is sourced from PubChem (CID 175323903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).