aluminum tris(pyrrol-1-ide)

C12H12AlN3 — CID 23289055

IUPACaluminum tris(pyrrol-1-ide)
SMILES[Al+3].c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1
InChIInChI=1S/3C4H4N.Al/c3*1-2-4-5-3-1;/h3*1-4H;/q3*-1;+3
InChIKeyWZYSPXAFRUXTTD-UHFFFAOYSA-N
MW225.23 g/mol
LogP1.55
Rot. Bonds

About aluminum tris(pyrrol-1-ide)

aluminum tris(pyrrol-1-ide) (PubChem CID 23289055) has the molecular formula C12H12AlN3 and a molecular weight of 225.23 g/mol. Its IUPAC name is aluminum tris(pyrrol-1-ide).

Molecular Properties

Compound Namealuminum tris(pyrrol-1-ide)
PubChem CID23289055
Molecular FormulaC12H12AlN3
Molecular Weight225.23 g/mol
Exact Mass225.08
IUPAC Namealuminum tris(pyrrol-1-ide)
SMILES[Al+3].c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1
InChIInChI=1S/3C4H4N.Al/c3*1-2-4-5-3-1;/h3*1-4H;/q3*-1;+3
InChIKeyWZYSPXAFRUXTTD-UHFFFAOYSA-N
XLogP1.55
TPSA42.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of aluminum tris(pyrrol-1-ide)?
The IUPAC name of aluminum tris(pyrrol-1-ide) (CID 23289055) is aluminum tris(pyrrol-1-ide).
What is the SMILES notation for aluminum tris(pyrrol-1-ide)?
The canonical SMILES for aluminum tris(pyrrol-1-ide) is [Al+3].c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1.
What is the InChIKey of aluminum tris(pyrrol-1-ide)?
The InChIKey is WZYSPXAFRUXTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H4N.Al/c3*1-2-4-5-3-1;/h3*1-4H;/q3*-1;+3.
What are the key properties of aluminum tris(pyrrol-1-ide)?
aluminum tris(pyrrol-1-ide) has a molecular weight of 225.23 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum tris(pyrrol-1-ide) is sourced from PubChem (CID 23289055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).