bis(prop-2-enyl)azanium chloride

C6H12ClN — CID 10898762

IUPACbis(prop-2-enyl)azanium chloride
SMILESC=CC[NH2+]CC=C.[Cl-]
InChIInChI=1S/C6H11N.ClH/c1-3-5-7-6-4-2;/h3-4,7H,1-2,5-6H2;1H
InChIKeyPZNOBXVHZYGUEX-UHFFFAOYSA-N
MW133.62 g/mol
LogP-3.07
Rot. Bonds4

About bis(prop-2-enyl)azanium chloride

bis(prop-2-enyl)azanium chloride (PubChem CID 10898762) has the molecular formula C6H12ClN and a molecular weight of 133.62 g/mol. Its IUPAC name is bis(prop-2-enyl)azanium chloride.

Molecular Properties

Compound Namebis(prop-2-enyl)azanium chloride
PubChem CID10898762
Molecular FormulaC6H12ClN
Molecular Weight133.62 g/mol
Exact Mass133.07
IUPAC Namebis(prop-2-enyl)azanium chloride
SMILESC=CC[NH2+]CC=C.[Cl-]
InChIInChI=1S/C6H11N.ClH/c1-3-5-7-6-4-2;/h3-4,7H,1-2,5-6H2;1H
InChIKeyPZNOBXVHZYGUEX-UHFFFAOYSA-N
XLogP-3.07
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.62
LogP ≤ 5-3.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(prop-2-enyl)azanium chloride?
The IUPAC name of bis(prop-2-enyl)azanium chloride (CID 10898762) is bis(prop-2-enyl)azanium chloride.
What is the SMILES notation for bis(prop-2-enyl)azanium chloride?
The canonical SMILES for bis(prop-2-enyl)azanium chloride is C=CC[NH2+]CC=C.[Cl-].
What is the InChIKey of bis(prop-2-enyl)azanium chloride?
The InChIKey is PZNOBXVHZYGUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.ClH/c1-3-5-7-6-4-2;/h3-4,7H,1-2,5-6H2;1H.
What are the key properties of bis(prop-2-enyl)azanium chloride?
bis(prop-2-enyl)azanium chloride has a molecular weight of 133.62 g/mol, XLogP of -3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enyl)azanium chloride is sourced from PubChem (CID 10898762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).