but-3-enylazanium iodide

C4H10IN — CID 130297634

IUPACbut-3-enylazanium iodide
SMILESC=CCC[NH3+].[I-]
InChIInChI=1S/C4H9N.HI/c1-2-3-4-5;/h2H,1,3-5H2;1H
InChIKeyKHYVNKZYTZEOSR-UHFFFAOYSA-N
MW199.03 g/mol
LogP-3.19
Rot. Bonds2

About but-3-enylazanium iodide

but-3-enylazanium iodide (PubChem CID 130297634) has the molecular formula C4H10IN and a molecular weight of 199.03 g/mol. Its IUPAC name is but-3-enylazanium iodide.

Molecular Properties

Compound Namebut-3-enylazanium iodide
PubChem CID130297634
Molecular FormulaC4H10IN
Molecular Weight199.03 g/mol
Exact Mass198.99
IUPAC Namebut-3-enylazanium iodide
SMILESC=CCC[NH3+].[I-]
InChIInChI=1S/C4H9N.HI/c1-2-3-4-5;/h2H,1,3-5H2;1H
InChIKeyKHYVNKZYTZEOSR-UHFFFAOYSA-N
XLogP-3.19
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.03
LogP ≤ 5-3.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of but-3-enylazanium iodide?
The IUPAC name of but-3-enylazanium iodide (CID 130297634) is but-3-enylazanium iodide.
What is the SMILES notation for but-3-enylazanium iodide?
The canonical SMILES for but-3-enylazanium iodide is C=CCC[NH3+].[I-].
What is the InChIKey of but-3-enylazanium iodide?
The InChIKey is KHYVNKZYTZEOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N.HI/c1-2-3-4-5;/h2H,1,3-5H2;1H.
What are the key properties of but-3-enylazanium iodide?
but-3-enylazanium iodide has a molecular weight of 199.03 g/mol, XLogP of -3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enylazanium iodide is sourced from PubChem (CID 130297634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).