2-ethenyl-3,4-dihydroquinolizin-5-ium

C11H12N+ — CID 102257147

IUPAC2-ethenyl-3,4-dihydroquinolizin-5-ium
SMILESC=CC1=Cc2cccc[n+]2CC1
InChIInChI=1S/C11H12N/c1-2-10-6-8-12-7-4-3-5-11(12)9-10/h2-5,7,9H,1,6,8H2/q+1
InChIKeyABFODXHCWPFMAM-UHFFFAOYSA-N
MW158.22 g/mol
LogP1.95
Rot. Bonds1

About 2-ethenyl-3,4-dihydroquinolizin-5-ium

2-ethenyl-3,4-dihydroquinolizin-5-ium (PubChem CID 102257147) has the molecular formula C11H12N+ and a molecular weight of 158.22 g/mol. Its IUPAC name is 2-ethenyl-3,4-dihydroquinolizin-5-ium.

Molecular Properties

Compound Name2-ethenyl-3,4-dihydroquinolizin-5-ium
PubChem CID102257147
Molecular FormulaC11H12N+
Molecular Weight158.22 g/mol
Exact Mass158.10
IUPAC Name2-ethenyl-3,4-dihydroquinolizin-5-ium
SMILESC=CC1=Cc2cccc[n+]2CC1
InChIInChI=1S/C11H12N/c1-2-10-6-8-12-7-4-3-5-11(12)9-10/h2-5,7,9H,1,6,8H2/q+1
InChIKeyABFODXHCWPFMAM-UHFFFAOYSA-N
XLogP1.95
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 51.95
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 2-ethenyl-3,4-dihydroquinolizin-5-ium?
The IUPAC name of 2-ethenyl-3,4-dihydroquinolizin-5-ium (CID 102257147) is 2-ethenyl-3,4-dihydroquinolizin-5-ium.
What is the SMILES notation for 2-ethenyl-3,4-dihydroquinolizin-5-ium?
The canonical SMILES for 2-ethenyl-3,4-dihydroquinolizin-5-ium is C=CC1=Cc2cccc[n+]2CC1.
What is the InChIKey of 2-ethenyl-3,4-dihydroquinolizin-5-ium?
The InChIKey is ABFODXHCWPFMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N/c1-2-10-6-8-12-7-4-3-5-11(12)9-10/h2-5,7,9H,1,6,8H2/q+1.
What are the key properties of 2-ethenyl-3,4-dihydroquinolizin-5-ium?
2-ethenyl-3,4-dihydroquinolizin-5-ium has a molecular weight of 158.22 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3,4-dihydroquinolizin-5-ium is sourced from PubChem (CID 102257147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).