1-propyl-1H-imidazol-1-ium;tetrachloroalumanuide

C6H11AlCl4N2 — CID 66783958

IUPAC1-propyl-1H-imidazol-1-ium;tetrachloroalumanuide
SMILESCCC[NH+]1C=CN=C1.Cl[Al-](Cl)(Cl)Cl
InChIInChI=1S/C6H10N2.Al.4ClH/c1-2-4-8-5-3-7-6-8;;;;;/h3,5-6H,2,4H2,1H3;;4*1H/q;+3;;;;/p-3
InChIKeyBFADPNRWDQKWFI-UHFFFAOYSA-K
MW279.96 g/mol
LogP2.17
Rot. Bonds2

About 1-propyl-1H-imidazol-1-ium;tetrachloroalumanuide

1-propyl-1H-imidazol-1-ium;tetrachloroalumanuide (PubChem CID 66783958) has the molecular formula C6H11AlCl4N2 and a molecular weight of 279.96 g/mol. Its IUPAC name is 1-propyl-1H-imidazol-1-ium;tetrachloroalumanuide.

Molecular Properties

Compound Name1-propyl-1H-imidazol-1-ium;tetrachloroalumanuide
PubChem CID66783958
Molecular FormulaC6H11AlCl4N2
Molecular Weight279.96 g/mol
Exact Mass277.95
IUPAC Name1-propyl-1H-imidazol-1-ium;tetrachloroalumanuide
SMILESCCC[NH+]1C=CN=C1.Cl[Al-](Cl)(Cl)Cl
InChIInChI=1S/C6H10N2.Al.4ClH/c1-2-4-8-5-3-7-6-8;;;;;/h3,5-6H,2,4H2,1H3;;4*1H/q;+3;;;;/p-3
InChIKeyBFADPNRWDQKWFI-UHFFFAOYSA-K
XLogP2.17
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.96
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-1H-imidazol-1-ium;tetrachloroalumanuide?
The IUPAC name of 1-propyl-1H-imidazol-1-ium;tetrachloroalumanuide (CID 66783958) is 1-propyl-1H-imidazol-1-ium;tetrachloroalumanuide.
What is the SMILES notation for 1-propyl-1H-imidazol-1-ium;tetrachloroalumanuide?
The canonical SMILES for 1-propyl-1H-imidazol-1-ium;tetrachloroalumanuide is CCC[NH+]1C=CN=C1.Cl[Al-](Cl)(Cl)Cl.
What is the InChIKey of 1-propyl-1H-imidazol-1-ium;tetrachloroalumanuide?
The InChIKey is BFADPNRWDQKWFI-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H10N2.Al.4ClH/c1-2-4-8-5-3-7-6-8;;;;;/h3,5-6H,2,4H2,1H3;;4*1H/q;+3;;;;/p-3.
What are the key properties of 1-propyl-1H-imidazol-1-ium;tetrachloroalumanuide?
1-propyl-1H-imidazol-1-ium;tetrachloroalumanuide has a molecular weight of 279.96 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-1H-imidazol-1-ium;tetrachloroalumanuide is sourced from PubChem (CID 66783958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).