1-benzylidenepyrrolidin-1-ium;tetrachloroalumanuide

C11H14AlCl4N — CID 134987613

IUPAC1-benzylidenepyrrolidin-1-ium;tetrachloroalumanuide
SMILESC(c1ccccc1)=[N+]1CCCC1.Cl[Al-](Cl)(Cl)Cl
InChIInChI=1S/C11H14N.Al.4ClH/c1-2-6-11(7-3-1)10-12-8-4-5-9-12;;;;;/h1-3,6-7,10H,4-5,8-9H2;;4*1H/q+1;+3;;;;/p-4
InChIKeySQWXLDKMHWLNOR-UHFFFAOYSA-J
MW329.03 g/mol
LogP4.29
Rot. Bonds1

About 1-benzylidenepyrrolidin-1-ium;tetrachloroalumanuide

1-benzylidenepyrrolidin-1-ium;tetrachloroalumanuide (PubChem CID 134987613) has the molecular formula C11H14AlCl4N and a molecular weight of 329.03 g/mol. Its IUPAC name is 1-benzylidenepyrrolidin-1-ium;tetrachloroalumanuide.

Molecular Properties

Compound Name1-benzylidenepyrrolidin-1-ium;tetrachloroalumanuide
PubChem CID134987613
Molecular FormulaC11H14AlCl4N
Molecular Weight329.03 g/mol
Exact Mass326.97
IUPAC Name1-benzylidenepyrrolidin-1-ium;tetrachloroalumanuide
SMILESC(c1ccccc1)=[N+]1CCCC1.Cl[Al-](Cl)(Cl)Cl
InChIInChI=1S/C11H14N.Al.4ClH/c1-2-6-11(7-3-1)10-12-8-4-5-9-12;;;;;/h1-3,6-7,10H,4-5,8-9H2;;4*1H/q+1;+3;;;;/p-4
InChIKeySQWXLDKMHWLNOR-UHFFFAOYSA-J
XLogP4.29
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.03
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzylidenepyrrolidin-1-ium;tetrachloroalumanuide?
The IUPAC name of 1-benzylidenepyrrolidin-1-ium;tetrachloroalumanuide (CID 134987613) is 1-benzylidenepyrrolidin-1-ium;tetrachloroalumanuide.
What is the SMILES notation for 1-benzylidenepyrrolidin-1-ium;tetrachloroalumanuide?
The canonical SMILES for 1-benzylidenepyrrolidin-1-ium;tetrachloroalumanuide is C(c1ccccc1)=[N+]1CCCC1.Cl[Al-](Cl)(Cl)Cl.
What is the InChIKey of 1-benzylidenepyrrolidin-1-ium;tetrachloroalumanuide?
The InChIKey is SQWXLDKMHWLNOR-UHFFFAOYSA-J. The full InChI is InChI=1S/C11H14N.Al.4ClH/c1-2-6-11(7-3-1)10-12-8-4-5-9-12;;;;;/h1-3,6-7,10H,4-5,8-9H2;;4*1H/q+1;+3;;;;/p-4.
What are the key properties of 1-benzylidenepyrrolidin-1-ium;tetrachloroalumanuide?
1-benzylidenepyrrolidin-1-ium;tetrachloroalumanuide has a molecular weight of 329.03 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylidenepyrrolidin-1-ium;tetrachloroalumanuide is sourced from PubChem (CID 134987613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).