1-methylquinolizin-5-ium

C10H10N+ — CID 54492614

IUPAC1-methylquinolizin-5-ium
SMILESCc1ccc[n+]2ccccc12
InChIInChI=1S/C10H10N/c1-9-5-4-8-11-7-3-2-6-10(9)11/h2-8H,1H3/q+1
InChIKeyXWUONHYZMZFGAO-UHFFFAOYSA-N
MW144.20 g/mol
LogP1.73
Rot. Bonds

About 1-methylquinolizin-5-ium

1-methylquinolizin-5-ium (PubChem CID 54492614) has the molecular formula C10H10N+ and a molecular weight of 144.20 g/mol. Its IUPAC name is 1-methylquinolizin-5-ium.

Molecular Properties

Compound Name1-methylquinolizin-5-ium
PubChem CID54492614
Molecular FormulaC10H10N+
Molecular Weight144.20 g/mol
Exact Mass144.08
IUPAC Name1-methylquinolizin-5-ium
SMILESCc1ccc[n+]2ccccc12
InChIInChI=1S/C10H10N/c1-9-5-4-8-11-7-3-2-6-10(9)11/h2-8H,1H3/q+1
InChIKeyXWUONHYZMZFGAO-UHFFFAOYSA-N
XLogP1.73
TPSA4.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 51.73
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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Related Compounds

1,2-xylene
CID 173422016
1-methylbenzo[a]quinolizin-5-ium
CID 14709339
benzene;1,2-xylene
CID 161464493
1,2-xylene;trihydrochloride
CID 70594732
1,2-xylene;zirconium
CID 174354618
vanadium;1,2-xylene
CID 143581691
1,2-xylene;tetrahydrobromide
CID 172843014
silver;1,2-xylene
CID 158486133
azane;1,2-xylene
CID 174280305
quinolizin-5-ium-1,2-diol bromide
CID 595046
azane;1,2-xylene;hydrate
CID 158522930
sodium;hydride;1,2-xylene
CID 173009635

Frequently Asked Questions

What is the IUPAC name of 1-methylquinolizin-5-ium?
The IUPAC name of 1-methylquinolizin-5-ium (CID 54492614) is 1-methylquinolizin-5-ium.
What is the SMILES notation for 1-methylquinolizin-5-ium?
The canonical SMILES for 1-methylquinolizin-5-ium is Cc1ccc[n+]2ccccc12.
What is the InChIKey of 1-methylquinolizin-5-ium?
The InChIKey is XWUONHYZMZFGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N/c1-9-5-4-8-11-7-3-2-6-10(9)11/h2-8H,1H3/q+1.
What are the key properties of 1-methylquinolizin-5-ium?
1-methylquinolizin-5-ium has a molecular weight of 144.20 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylquinolizin-5-ium is sourced from PubChem (CID 54492614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).