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

C10H14N+ — CID 18684135

IUPAC2,3-dimethyl-5,6-dihydro-1H-indolizin-4-ium
SMILESCC1=C(C)[N+]2=C(C=CCC2)C1
InChIInChI=1S/C10H14N/c1-8-7-10-5-3-4-6-11(10)9(8)2/h3,5H,4,6-7H2,1-2H3/q+1
InChIKeyUIFRUHDGFBBLAF-UHFFFAOYSA-N
MW148.23 g/mol
LogP2.10
Rot. Bonds

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

2,3-dimethyl-5,6-dihydro-1H-indolizin-4-ium (PubChem CID 18684135) has the molecular formula C10H14N+ and a molecular weight of 148.23 g/mol. Its IUPAC name is 2,3-dimethyl-5,6-dihydro-1H-indolizin-4-ium.

Molecular Properties

Compound Name2,3-dimethyl-5,6-dihydro-1H-indolizin-4-ium
PubChem CID18684135
Molecular FormulaC10H14N+
Molecular Weight148.23 g/mol
Exact Mass148.11
IUPAC Name2,3-dimethyl-5,6-dihydro-1H-indolizin-4-ium
SMILESCC1=C(C)[N+]2=C(C=CCC2)C1
InChIInChI=1S/C10H14N/c1-8-7-10-5-3-4-6-11(10)9(8)2/h3,5H,4,6-7H2,1-2H3/q+1
InChIKeyUIFRUHDGFBBLAF-UHFFFAOYSA-N
XLogP2.10
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 52.10
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

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CID 23113700
N-ethylpyrroloindole
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CID 18684134
1,4-dimethyl-2H-indol-1-ium
CID 60119061
2-Methylidene-1-prop-2-enylindol-1-ium
CID 87396379
1,3-dimethyl-5,6,8,9-tetrahydro-4H-1-benzazonin-1-ium
CID 123216459
methane;2,3,5-trimethyl-5,6-dihydro-1H-indolizin-4-ium
CID 162132341
1-methyl-2H-pyrrolo[2,3-e]indole
CID 176310744
1-Methyl-2,9-dihydropyrrolo[2,3-f]quinoline
CID 176908020
16-Methyl-10-azoniatetracyclo[8.7.0.02,7.011,15]heptadeca-1,3,5,7,10,12,14,16-octaene
CID 86735953
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-dimethyl-5,6-dihydro-1H-indolizin-4-ium?
The IUPAC name of 2,3-dimethyl-5,6-dihydro-1H-indolizin-4-ium (CID 18684135) is 2,3-dimethyl-5,6-dihydro-1H-indolizin-4-ium.
What is the SMILES notation for 2,3-dimethyl-5,6-dihydro-1H-indolizin-4-ium?
The canonical SMILES for 2,3-dimethyl-5,6-dihydro-1H-indolizin-4-ium is CC1=C(C)[N+]2=C(C=CCC2)C1.
What is the InChIKey of 2,3-dimethyl-5,6-dihydro-1H-indolizin-4-ium?
The InChIKey is UIFRUHDGFBBLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N/c1-8-7-10-5-3-4-6-11(10)9(8)2/h3,5H,4,6-7H2,1-2H3/q+1.
What are the key properties of 2,3-dimethyl-5,6-dihydro-1H-indolizin-4-ium?
2,3-dimethyl-5,6-dihydro-1H-indolizin-4-ium has a molecular weight of 148.23 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5,6-dihydro-1H-indolizin-4-ium is sourced from PubChem (CID 18684135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).