4-chlorobut-3-enyl(trimethyl)azanium

C7H15ClN+ — CID 54380752

IUPAC4-chlorobut-3-enyl(trimethyl)azanium
SMILESC[N+](C)(C)CCC=CCl
InChIInChI=1S/C7H15ClN/c1-9(2,3)7-5-4-6-8/h4,6H,5,7H2,1-3H3/q+1
InChIKeyUZSONYHOBVTFIW-UHFFFAOYSA-N
MW148.66 g/mol
LogP1.84
Rot. Bonds3

About 4-chlorobut-3-enyl(trimethyl)azanium

4-chlorobut-3-enyl(trimethyl)azanium (PubChem CID 54380752) has the molecular formula C7H15ClN+ and a molecular weight of 148.66 g/mol. Its IUPAC name is 4-chlorobut-3-enyl(trimethyl)azanium.

Molecular Properties

Compound Name4-chlorobut-3-enyl(trimethyl)azanium
PubChem CID54380752
Molecular FormulaC7H15ClN+
Molecular Weight148.66 g/mol
Exact Mass148.09
IUPAC Name4-chlorobut-3-enyl(trimethyl)azanium
SMILESC[N+](C)(C)CCC=CCl
InChIInChI=1S/C7H15ClN/c1-9(2,3)7-5-4-6-8/h4,6H,5,7H2,1-3H3/q+1
InChIKeyUZSONYHOBVTFIW-UHFFFAOYSA-N
XLogP1.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.66
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 4-chlorobut-3-enyl(trimethyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chlorobut-3-enyl(trimethyl)azanium?
The IUPAC name of 4-chlorobut-3-enyl(trimethyl)azanium (CID 54380752) is 4-chlorobut-3-enyl(trimethyl)azanium.
What is the SMILES notation for 4-chlorobut-3-enyl(trimethyl)azanium?
The canonical SMILES for 4-chlorobut-3-enyl(trimethyl)azanium is C[N+](C)(C)CCC=CCl.
What is the InChIKey of 4-chlorobut-3-enyl(trimethyl)azanium?
The InChIKey is UZSONYHOBVTFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClN/c1-9(2,3)7-5-4-6-8/h4,6H,5,7H2,1-3H3/q+1.
What are the key properties of 4-chlorobut-3-enyl(trimethyl)azanium?
4-chlorobut-3-enyl(trimethyl)azanium has a molecular weight of 148.66 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorobut-3-enyl(trimethyl)azanium is sourced from PubChem (CID 54380752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).