5,6-dihydro-1H-indolizin-4-ium

C8H10N+ — CID 18684139

IUPAC5,6-dihydro-1H-indolizin-4-ium
SMILESC1=CC2=[N+](C=CC2)CC1
InChIInChI=1S/C8H10N/c1-2-6-9-7-3-5-8(9)4-1/h1,3-4,7H,2,5-6H2/q+1
InChIKeyPAURGYUFUOLIHY-UHFFFAOYSA-N
MW120.17 g/mol
LogP1.32
Rot. Bonds

About 5,6-dihydro-1H-indolizin-4-ium

5,6-dihydro-1H-indolizin-4-ium (PubChem CID 18684139) has the molecular formula C8H10N+ and a molecular weight of 120.17 g/mol. Its IUPAC name is 5,6-dihydro-1H-indolizin-4-ium.

Molecular Properties

Compound Name5,6-dihydro-1H-indolizin-4-ium
PubChem CID18684139
Molecular FormulaC8H10N+
Molecular Weight120.17 g/mol
Exact Mass120.08
IUPAC Name5,6-dihydro-1H-indolizin-4-ium
SMILESC1=CC2=[N+](C=CC2)CC1
InChIInChI=1S/C8H10N/c1-2-6-9-7-3-5-8(9)4-1/h1,3-4,7H,2,5-6H2/q+1
InChIKeyPAURGYUFUOLIHY-UHFFFAOYSA-N
XLogP1.32
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.17
LogP ≤ 51.32
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

5-methyl-5,6-dihydro-1H-indolizin-4-ium
CID 18684141
(5S)-5-methyl-5,6-dihydro-1H-indolizin-4-ium
CID 58995854
5-methyl-3aH-pyrrolo[3,2-b]pyridine
CID 59199740
Carbanide;iridium;2-prop-1-enyl-3,4-dihydropyridine
CID 59403546
2-[(Z)-but-1-enyl]-3H-pyrrole
CID 59879717
1-methyl-2-[(1-methyl-3H-pyrrol-1-ium-2-yl)methylidene]-3H-pyrrole
CID 59893301
1-ethenyl-2H-indol-1-ium
CID 124013569
1-Methyl-5,6-dihydropyrrolo[3,2-b]pyridine
CID 139471457
1,5-Dimethyl-3a,7a-dihydropyrrolo[3,2-b]pyridine
CID 165379437
hydron;5H-indole
CID 174834938
2-[(E)-but-1-enyl]-3H-pyrrole
CID 18684138
Cyclohexa-2,5-dien-1-ylidene-ethenyl-methylazanium
CID 132275618

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-1H-indolizin-4-ium?
The IUPAC name of 5,6-dihydro-1H-indolizin-4-ium (CID 18684139) is 5,6-dihydro-1H-indolizin-4-ium.
What is the SMILES notation for 5,6-dihydro-1H-indolizin-4-ium?
The canonical SMILES for 5,6-dihydro-1H-indolizin-4-ium is C1=CC2=[N+](C=CC2)CC1.
What is the InChIKey of 5,6-dihydro-1H-indolizin-4-ium?
The InChIKey is PAURGYUFUOLIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N/c1-2-6-9-7-3-5-8(9)4-1/h1,3-4,7H,2,5-6H2/q+1.
What are the key properties of 5,6-dihydro-1H-indolizin-4-ium?
5,6-dihydro-1H-indolizin-4-ium has a molecular weight of 120.17 g/mol, XLogP of 1.32, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-1H-indolizin-4-ium is sourced from PubChem (CID 18684139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).