prop-2-enylazanium chloride

C3H8ClN — CID 11083829

IUPACprop-2-enylazanium chloride
SMILESC=CC[NH3+].[Cl-]
InChIInChI=1S/C3H7N.ClH/c1-2-3-4;/h2H,1,3-4H2;1H
InChIKeyMLGWTHRHHANFCC-UHFFFAOYSA-N
MW93.56 g/mol
LogP-3.58
Rot. Bonds1

About prop-2-enylazanium chloride

prop-2-enylazanium chloride (PubChem CID 11083829) has the molecular formula C3H8ClN and a molecular weight of 93.56 g/mol. Its IUPAC name is prop-2-enylazanium chloride.

Molecular Properties

Compound Nameprop-2-enylazanium chloride
PubChem CID11083829
Molecular FormulaC3H8ClN
Molecular Weight93.56 g/mol
Exact Mass93.03
IUPAC Nameprop-2-enylazanium chloride
SMILESC=CC[NH3+].[Cl-]
InChIInChI=1S/C3H7N.ClH/c1-2-3-4;/h2H,1,3-4H2;1H
InChIKeyMLGWTHRHHANFCC-UHFFFAOYSA-N
XLogP-3.58
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.56
LogP ≤ 5-3.58
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 prop-2-enylazanium chloride?
The IUPAC name of prop-2-enylazanium chloride (CID 11083829) is prop-2-enylazanium chloride.
What is the SMILES notation for prop-2-enylazanium chloride?
The canonical SMILES for prop-2-enylazanium chloride is C=CC[NH3+].[Cl-].
What is the InChIKey of prop-2-enylazanium chloride?
The InChIKey is MLGWTHRHHANFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N.ClH/c1-2-3-4;/h2H,1,3-4H2;1H.
What are the key properties of prop-2-enylazanium chloride?
prop-2-enylazanium chloride has a molecular weight of 93.56 g/mol, XLogP of -3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enylazanium chloride is sourced from PubChem (CID 11083829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).