2,3-dihydro-1H-indolizin-4-ium iodide

C8H10IN — CID 14617556

IUPAC2,3-dihydro-1H-indolizin-4-ium iodide
SMILES[I-].c1cc[n+]2c(c1)CCC2
InChIInChI=1S/C8H10N.HI/c1-2-6-9-7-3-5-8(9)4-1;/h1-2,4,6H,3,5,7H2;1H/q+1;/p-1
InChIKeyWDHSKGMAGWJJLC-UHFFFAOYSA-M
MW247.08 g/mol
LogP-2.08
Rot. Bonds

About 2,3-dihydro-1H-indolizin-4-ium iodide

2,3-dihydro-1H-indolizin-4-ium iodide (PubChem CID 14617556) has the molecular formula C8H10IN and a molecular weight of 247.08 g/mol. Its IUPAC name is 2,3-dihydro-1H-indolizin-4-ium iodide.

Molecular Properties

Compound Name2,3-dihydro-1H-indolizin-4-ium iodide
PubChem CID14617556
Molecular FormulaC8H10IN
Molecular Weight247.08 g/mol
Exact Mass246.99
IUPAC Name2,3-dihydro-1H-indolizin-4-ium iodide
SMILES[I-].c1cc[n+]2c(c1)CCC2
InChIInChI=1S/C8H10N.HI/c1-2-6-9-7-3-5-8(9)4-1;/h1-2,4,6H,3,5,7H2;1H/q+1;/p-1
InChIKeyWDHSKGMAGWJJLC-UHFFFAOYSA-M
XLogP-2.08
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.08
LogP ≤ 5-2.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indolizin-4-ium iodide?
The IUPAC name of 2,3-dihydro-1H-indolizin-4-ium iodide (CID 14617556) is 2,3-dihydro-1H-indolizin-4-ium iodide.
What is the SMILES notation for 2,3-dihydro-1H-indolizin-4-ium iodide?
The canonical SMILES for 2,3-dihydro-1H-indolizin-4-ium iodide is [I-].c1cc[n+]2c(c1)CCC2.
What is the InChIKey of 2,3-dihydro-1H-indolizin-4-ium iodide?
The InChIKey is WDHSKGMAGWJJLC-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H10N.HI/c1-2-6-9-7-3-5-8(9)4-1;/h1-2,4,6H,3,5,7H2;1H/q+1;/p-1.
What are the key properties of 2,3-dihydro-1H-indolizin-4-ium iodide?
2,3-dihydro-1H-indolizin-4-ium iodide has a molecular weight of 247.08 g/mol, XLogP of -2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indolizin-4-ium iodide is sourced from PubChem (CID 14617556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).