but-3-enylazanium chloride

C4H10ClN — CID 11217238

IUPACbut-3-enylazanium chloride
SMILESC=CCC[NH3+].[Cl-]
InChIInChI=1S/C4H9N.ClH/c1-2-3-4-5;/h2H,1,3-5H2;1H
InChIKeyMKEXLMVYRUNCQJ-UHFFFAOYSA-N
MW107.58 g/mol
LogP-3.19
Rot. Bonds2

About but-3-enylazanium chloride

but-3-enylazanium chloride (PubChem CID 11217238) has the molecular formula C4H10ClN and a molecular weight of 107.58 g/mol. Its IUPAC name is but-3-enylazanium chloride.

Molecular Properties

Compound Namebut-3-enylazanium chloride
PubChem CID11217238
Molecular FormulaC4H10ClN
Molecular Weight107.58 g/mol
Exact Mass107.05
IUPAC Namebut-3-enylazanium chloride
SMILESC=CCC[NH3+].[Cl-]
InChIInChI=1S/C4H9N.ClH/c1-2-3-4-5;/h2H,1,3-5H2;1H
InChIKeyMKEXLMVYRUNCQJ-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 ≤ 500107.58
LogP ≤ 5-3.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of but-3-enylazanium chloride?
The IUPAC name of but-3-enylazanium chloride (CID 11217238) is but-3-enylazanium chloride.
What is the SMILES notation for but-3-enylazanium chloride?
The canonical SMILES for but-3-enylazanium chloride is C=CCC[NH3+].[Cl-].
What is the InChIKey of but-3-enylazanium chloride?
The InChIKey is MKEXLMVYRUNCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N.ClH/c1-2-3-4-5;/h2H,1,3-5H2;1H.
What are the key properties of but-3-enylazanium chloride?
but-3-enylazanium chloride has a molecular weight of 107.58 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 chloride is sourced from PubChem (CID 11217238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).