3-ethenyl-2,3-dihydro-1H-indolizin-4-ium chloride

C10H12ClN — CID 11095246

IUPAC3-ethenyl-2,3-dihydro-1H-indolizin-4-ium chloride
SMILESC=CC1CCc2cccc[n+]21.[Cl-]
InChIInChI=1S/C10H12N.ClH/c1-2-9-6-7-10-5-3-4-8-11(9)10;/h2-5,8-9H,1,6-7H2;1H/q+1;/p-1
InChIKeyYEOOPBVOJMUDAH-UHFFFAOYSA-M
MW181.67 g/mol
LogP-1.35
Rot. Bonds1

About 3-ethenyl-2,3-dihydro-1H-indolizin-4-ium chloride

3-ethenyl-2,3-dihydro-1H-indolizin-4-ium chloride (PubChem CID 11095246) has the molecular formula C10H12ClN and a molecular weight of 181.67 g/mol. Its IUPAC name is 3-ethenyl-2,3-dihydro-1H-indolizin-4-ium chloride.

Molecular Properties

Compound Name3-ethenyl-2,3-dihydro-1H-indolizin-4-ium chloride
PubChem CID11095246
Molecular FormulaC10H12ClN
Molecular Weight181.67 g/mol
Exact Mass181.07
IUPAC Name3-ethenyl-2,3-dihydro-1H-indolizin-4-ium chloride
SMILESC=CC1CCc2cccc[n+]21.[Cl-]
InChIInChI=1S/C10H12N.ClH/c1-2-9-6-7-10-5-3-4-8-11(9)10;/h2-5,8-9H,1,6-7H2;1H/q+1;/p-1
InChIKeyYEOOPBVOJMUDAH-UHFFFAOYSA-M
XLogP-1.35
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.67
LogP ≤ 5-1.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-ethenyl-2,3-dihydro-1H-indolizin-4-ium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5a,11,11a,12-tetrahydroindolizino[2,3-b]indolizine-5,6-diium
CID 143965804
(1R)-1-prop-2-enyl-1,2,3,4-tetrahydronaphthalene
CID 138977422
2-ethenyl-1,2,3,4-tetrahydronaphthalene
CID 18314182
6,11-dihydrobenzo[b]quinolizin-5-ium-6-amine
CID 123858590
2-methyl-1-prop-2-enylpyridin-1-ium chloride
CID 68658973
2-ethenyl-1-prop-2-enylpyridin-1-ium chloride
CID 67067148
2-ethenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 168728590
1-cyclopropyl-4-phenylpyridin-1-ium chloride
CID 71347666
2,3-dihydro-1H-indolizin-4-ium iodide
CID 14617556
7-prop-2-enyl-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 115410429
1-(1-phenylprop-2-enyl)pyridin-1-ium chloride
CID 23290371
(2S)-2-ethenyl-3,4-dihydro-2H-chromene
CID 57124320

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2,3-dihydro-1H-indolizin-4-ium chloride?
The IUPAC name of 3-ethenyl-2,3-dihydro-1H-indolizin-4-ium chloride (CID 11095246) is 3-ethenyl-2,3-dihydro-1H-indolizin-4-ium chloride.
What is the SMILES notation for 3-ethenyl-2,3-dihydro-1H-indolizin-4-ium chloride?
The canonical SMILES for 3-ethenyl-2,3-dihydro-1H-indolizin-4-ium chloride is C=CC1CCc2cccc[n+]21.[Cl-].
What is the InChIKey of 3-ethenyl-2,3-dihydro-1H-indolizin-4-ium chloride?
The InChIKey is YEOOPBVOJMUDAH-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H12N.ClH/c1-2-9-6-7-10-5-3-4-8-11(9)10;/h2-5,8-9H,1,6-7H2;1H/q+1;/p-1.
What are the key properties of 3-ethenyl-2,3-dihydro-1H-indolizin-4-ium chloride?
3-ethenyl-2,3-dihydro-1H-indolizin-4-ium chloride has a molecular weight of 181.67 g/mol, XLogP of -1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2,3-dihydro-1H-indolizin-4-ium chloride is sourced from PubChem (CID 11095246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).