2-ethenyl-3H-indolizin-4-ium

C10H10N+ — CID 58720826

IUPAC2-ethenyl-3H-indolizin-4-ium
SMILESC=CC1=Cc2cccc[n+]2C1
InChIInChI=1S/C10H10N/c1-2-9-7-10-5-3-4-6-11(10)8-9/h2-7H,1,8H2/q+1
InChIKeyPSSKPEGFPGGWDD-UHFFFAOYSA-N
MW144.20 g/mol
LogP1.56
Rot. Bonds1

About 2-ethenyl-3H-indolizin-4-ium

2-ethenyl-3H-indolizin-4-ium (PubChem CID 58720826) has the molecular formula C10H10N+ and a molecular weight of 144.20 g/mol. Its IUPAC name is 2-ethenyl-3H-indolizin-4-ium.

Molecular Properties

Compound Name2-ethenyl-3H-indolizin-4-ium
PubChem CID58720826
Molecular FormulaC10H10N+
Molecular Weight144.20 g/mol
Exact Mass144.08
IUPAC Name2-ethenyl-3H-indolizin-4-ium
SMILESC=CC1=Cc2cccc[n+]2C1
InChIInChI=1S/C10H10N/c1-2-9-7-10-5-3-4-6-11(10)8-9/h2-7H,1,8H2/q+1
InChIKeyPSSKPEGFPGGWDD-UHFFFAOYSA-N
XLogP1.56
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 51.56
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-3H-indolizin-4-ium?
The IUPAC name of 2-ethenyl-3H-indolizin-4-ium (CID 58720826) is 2-ethenyl-3H-indolizin-4-ium.
What is the SMILES notation for 2-ethenyl-3H-indolizin-4-ium?
The canonical SMILES for 2-ethenyl-3H-indolizin-4-ium is C=CC1=Cc2cccc[n+]2C1.
What is the InChIKey of 2-ethenyl-3H-indolizin-4-ium?
The InChIKey is PSSKPEGFPGGWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N/c1-2-9-7-10-5-3-4-6-11(10)8-9/h2-7H,1,8H2/q+1.
What are the key properties of 2-ethenyl-3H-indolizin-4-ium?
2-ethenyl-3H-indolizin-4-ium has a molecular weight of 144.20 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3H-indolizin-4-ium is sourced from PubChem (CID 58720826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).