indium(3+);tetrakis(prop-2-enyl)azanium;tetrachloride

C12H20Cl4InN — CID 174555919

IUPACindium(3+);tetrakis(prop-2-enyl)azanium;tetrachloride
SMILESC=CC[N+](CC=C)(CC=C)CC=C.[Cl-].[Cl-].[Cl-].[Cl-].[In+3]
InChIInChI=1S/C12H20N.4ClH.In/c1-5-9-13(10-6-2,11-7-3)12-8-4;;;;;/h5-8H,1-4,9-12H2;4*1H;/q+1;;;;;+3/p-4
InChIKeyNCNXGBLKLUKGBJ-UHFFFAOYSA-J
MW434.93 g/mol
LogP-9.82
Rot. Bonds8

About indium(3+);tetrakis(prop-2-enyl)azanium;tetrachloride

indium(3+);tetrakis(prop-2-enyl)azanium;tetrachloride (PubChem CID 174555919) has the molecular formula C12H20Cl4InN and a molecular weight of 434.93 g/mol. Its IUPAC name is indium(3+);tetrakis(prop-2-enyl)azanium;tetrachloride.

Molecular Properties

Compound Nameindium(3+);tetrakis(prop-2-enyl)azanium;tetrachloride
PubChem CID174555919
Molecular FormulaC12H20Cl4InN
Molecular Weight434.93 g/mol
Exact Mass432.94
IUPAC Nameindium(3+);tetrakis(prop-2-enyl)azanium;tetrachloride
SMILESC=CC[N+](CC=C)(CC=C)CC=C.[Cl-].[Cl-].[Cl-].[Cl-].[In+3]
InChIInChI=1S/C12H20N.4ClH.In/c1-5-9-13(10-6-2,11-7-3)12-8-4;;;;;/h5-8H,1-4,9-12H2;4*1H;/q+1;;;;;+3/p-4
InChIKeyNCNXGBLKLUKGBJ-UHFFFAOYSA-J
XLogP-9.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.93
LogP ≤ 5-9.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of indium(3+);tetrakis(prop-2-enyl)azanium;tetrachloride?
The IUPAC name of indium(3+);tetrakis(prop-2-enyl)azanium;tetrachloride (CID 174555919) is indium(3+);tetrakis(prop-2-enyl)azanium;tetrachloride.
What is the SMILES notation for indium(3+);tetrakis(prop-2-enyl)azanium;tetrachloride?
The canonical SMILES for indium(3+);tetrakis(prop-2-enyl)azanium;tetrachloride is C=CC[N+](CC=C)(CC=C)CC=C.[Cl-].[Cl-].[Cl-].[Cl-].[In+3].
What is the InChIKey of indium(3+);tetrakis(prop-2-enyl)azanium;tetrachloride?
The InChIKey is NCNXGBLKLUKGBJ-UHFFFAOYSA-J. The full InChI is InChI=1S/C12H20N.4ClH.In/c1-5-9-13(10-6-2,11-7-3)12-8-4;;;;;/h5-8H,1-4,9-12H2;4*1H;/q+1;;;;;+3/p-4.
What are the key properties of indium(3+);tetrakis(prop-2-enyl)azanium;tetrachloride?
indium(3+);tetrakis(prop-2-enyl)azanium;tetrachloride has a molecular weight of 434.93 g/mol, XLogP of -9.82, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for indium(3+);tetrakis(prop-2-enyl)azanium;tetrachloride is sourced from PubChem (CID 174555919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).