[3.5.3]Armilenium

C11H11+ — CID 12662406

IUPAC—
SMILESC1=CC2C3C=CC4C2C4C3[CH+]1
InChIInChI=1S/C11H11/c1-2-7-6-4-5-9-10(7)11(9)8(6)3-1/h1-11H/q+1
InChIKeyYHLLCJAAILLOIR-UHFFFAOYSA-N
MW143.21 g/mol
LogP2.05
Rot. Bonds

About [3.5.3]Armilenium

[3.5.3]Armilenium (PubChem CID 12662406) has the molecular formula C11H11+ and a molecular weight of 143.21 g/mol.

Molecular Properties

Compound Name[3.5.3]Armilenium
PubChem CID12662406
Molecular FormulaC11H11+
Molecular Weight143.21 g/mol
Exact Mass143.09
IUPAC Name—
SMILESC1=CC2C3C=CC4C2C4C3[CH+]1
InChIInChI=1S/C11H11/c1-2-7-6-4-5-9-10(7)11(9)8(6)3-1/h1-11H/q+1
InChIKeyYHLLCJAAILLOIR-UHFFFAOYSA-N
XLogP2.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3.5.3]Armilenium?
The IUPAC name of [3.5.3]Armilenium (CID 12662406) is not available.
What is the SMILES notation for [3.5.3]Armilenium?
The canonical SMILES for [3.5.3]Armilenium is C1=CC2C3C=CC4C2C4C3[CH+]1.
What is the InChIKey of [3.5.3]Armilenium?
The InChIKey is YHLLCJAAILLOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11/c1-2-7-6-4-5-9-10(7)11(9)8(6)3-1/h1-11H/q+1.
What are the key properties of [3.5.3]Armilenium?
[3.5.3]Armilenium has a molecular weight of 143.21 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3.5.3]Armilenium is sourced from PubChem (CID 12662406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).