4H-quinolizin-5-ium

C9H8N+ — CID 57249463

IUPAC4H-quinolizin-5-ium
SMILESC1=CC[n+]2ccccc2C=1
InChIInChI=1S/C9H8N/c1-3-7-10-8-4-2-6-9(10)5-1/h1,3-7H,8H2/q+1
InChIKeyOYJGSLZHWZWQMA-UHFFFAOYSA-N
MW130.17 g/mol
LogP1.16
Rot. Bonds

About 4H-quinolizin-5-ium

4H-quinolizin-5-ium (PubChem CID 57249463) has the molecular formula C9H8N+ and a molecular weight of 130.17 g/mol. Its IUPAC name is 4H-quinolizin-5-ium.

Molecular Properties

Compound Name4H-quinolizin-5-ium
PubChem CID57249463
Molecular FormulaC9H8N+
Molecular Weight130.17 g/mol
Exact Mass130.07
IUPAC Name4H-quinolizin-5-ium
SMILESC1=CC[n+]2ccccc2C=1
InChIInChI=1S/C9H8N/c1-3-7-10-8-4-2-6-9(10)5-1/h1,3-7H,8H2/q+1
InChIKeyOYJGSLZHWZWQMA-UHFFFAOYSA-N
XLogP1.16
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 51.16
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 4H-quinolizin-5-ium?
The IUPAC name of 4H-quinolizin-5-ium (CID 57249463) is 4H-quinolizin-5-ium.
What is the SMILES notation for 4H-quinolizin-5-ium?
The canonical SMILES for 4H-quinolizin-5-ium is C1=CC[n+]2ccccc2C=1.
What is the InChIKey of 4H-quinolizin-5-ium?
The InChIKey is OYJGSLZHWZWQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N/c1-3-7-10-8-4-2-6-9(10)5-1/h1,3-7H,8H2/q+1.
What are the key properties of 4H-quinolizin-5-ium?
4H-quinolizin-5-ium has a molecular weight of 130.17 g/mol, XLogP of 1.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-quinolizin-5-ium is sourced from PubChem (CID 57249463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).