2,3,5-trimethyl-5,6-dihydro-1H-indolizin-4-ium

C11H16N+ — CID 18684134

IUPAC2,3,5-trimethyl-5,6-dihydro-1H-indolizin-4-ium
SMILESCC1=C(C)[N+]2=C(C=CCC2C)C1
InChIInChI=1S/C11H16N/c1-8-7-11-6-4-5-9(2)12(11)10(8)3/h4,6,9H,5,7H2,1-3H3/q+1
InChIKeyPFOKLWSQAPFRFE-UHFFFAOYSA-N
MW162.26 g/mol
LogP2.49
Rot. Bonds

About 2,3,5-trimethyl-5,6-dihydro-1H-indolizin-4-ium

2,3,5-trimethyl-5,6-dihydro-1H-indolizin-4-ium (PubChem CID 18684134) has the molecular formula C11H16N+ and a molecular weight of 162.26 g/mol. Its IUPAC name is 2,3,5-trimethyl-5,6-dihydro-1H-indolizin-4-ium.

Molecular Properties

Compound Name2,3,5-trimethyl-5,6-dihydro-1H-indolizin-4-ium
PubChem CID18684134
Molecular FormulaC11H16N+
Molecular Weight162.26 g/mol
Exact Mass162.13
IUPAC Name2,3,5-trimethyl-5,6-dihydro-1H-indolizin-4-ium
SMILESCC1=C(C)[N+]2=C(C=CCC2C)C1
InChIInChI=1S/C11H16N/c1-8-7-11-6-4-5-9(2)12(11)10(8)3/h4,6,9H,5,7H2,1-3H3/q+1
InChIKeyPFOKLWSQAPFRFE-UHFFFAOYSA-N
XLogP2.49
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 52.49
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

2,3-dimethyl-5,6-dihydro-1H-indolizin-4-ium
CID 18684135
1,2,3,4-tetramethyl-2H-indol-1-ium iodide
CID 87401852
1,2,3,5-tetramethyl-2H-indol-1-ium iodide
CID 88053066
2-Methyl-1-pentan-2-yl-7,8-dihydrobenzo[cd]indol-1-ium
CID 89721987
1,3-dimethyl-5,6,8,9-tetrahydro-4H-1-benzazonin-1-ium
CID 123216459
5-(5-ethenyl-4-methyl-3H-pyrrol-2-yl)-2-ethyl-1-methyl-2H-pyridine
CID 131968249
methane;2,3,5-trimethyl-5,6-dihydro-1H-indolizin-4-ium
CID 162132341
(2R)-2-methyl-6-(1-methyl-2,5-dihydropyrrol-3-yl)-2,3-dihydropyridine
CID 173958212
1,2,3,4-tetramethyl-2H-indol-1-ium
CID 87401853
1,2,3,5-tetramethyl-2H-indol-1-ium
CID 88053067
1-methyl-3,5-dihydro-2H-indol-1-ium
CID 122386243
1-ethyl-3,5-dihydro-2H-indol-1-ium
CID 122386247

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-5,6-dihydro-1H-indolizin-4-ium?
The IUPAC name of 2,3,5-trimethyl-5,6-dihydro-1H-indolizin-4-ium (CID 18684134) is 2,3,5-trimethyl-5,6-dihydro-1H-indolizin-4-ium.
What is the SMILES notation for 2,3,5-trimethyl-5,6-dihydro-1H-indolizin-4-ium?
The canonical SMILES for 2,3,5-trimethyl-5,6-dihydro-1H-indolizin-4-ium is CC1=C(C)[N+]2=C(C=CCC2C)C1.
What is the InChIKey of 2,3,5-trimethyl-5,6-dihydro-1H-indolizin-4-ium?
The InChIKey is PFOKLWSQAPFRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N/c1-8-7-11-6-4-5-9(2)12(11)10(8)3/h4,6,9H,5,7H2,1-3H3/q+1.
What are the key properties of 2,3,5-trimethyl-5,6-dihydro-1H-indolizin-4-ium?
2,3,5-trimethyl-5,6-dihydro-1H-indolizin-4-ium has a molecular weight of 162.26 g/mol, XLogP of 2.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-5,6-dihydro-1H-indolizin-4-ium is sourced from PubChem (CID 18684134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).