1,5-dimethyl-5H-pyrrolo[1,2-a]imidazol-1-ium

C8H11N2+ — CID 20617616

IUPAC1,5-dimethyl-5H-pyrrolo[1,2-a]imidazol-1-ium
SMILESCC1C=Cc2n1cc[n+]2C
InChIInChI=1S/C8H11N2/c1-7-3-4-8-9(2)5-6-10(7)8/h3-7H,1-2H3/q+1
InChIKeyXLIVXSSXEYDVKX-UHFFFAOYSA-N
MW135.19 g/mol
LogP0.90
Rot. Bonds

About 1,5-dimethyl-5H-pyrrolo[1,2-a]imidazol-1-ium

1,5-dimethyl-5H-pyrrolo[1,2-a]imidazol-1-ium (PubChem CID 20617616) has the molecular formula C8H11N2+ and a molecular weight of 135.19 g/mol. Its IUPAC name is 1,5-dimethyl-5H-pyrrolo[1,2-a]imidazol-1-ium.

Molecular Properties

Compound Name1,5-dimethyl-5H-pyrrolo[1,2-a]imidazol-1-ium
PubChem CID20617616
Molecular FormulaC8H11N2+
Molecular Weight135.19 g/mol
Exact Mass135.09
IUPAC Name1,5-dimethyl-5H-pyrrolo[1,2-a]imidazol-1-ium
SMILESCC1C=Cc2n1cc[n+]2C
InChIInChI=1S/C8H11N2/c1-7-3-4-8-9(2)5-6-10(7)8/h3-7H,1-2H3/q+1
InChIKeyXLIVXSSXEYDVKX-UHFFFAOYSA-N
XLogP0.90
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.19
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1H-Imidazole, 2-methyl-1-(1-methylethyl)-
CID 14670816
1-Subsituted 1H-imidazole, 10
CID 20148469
1-Subsituted 1H-imidazole, 14
CID 25116047
N-(dimethylallyl)imidazole
CID 57339814
1-Subsituted 1H-imidazole, 12
CID 57339815
4-imidazol-1-yl-1-methyl-3,6-dihydro-2H-pyridine
CID 10678575
1-Methyl-2-vinyl-1H-imidazole
CID 572246
2-ethenyl-1-methyl-1H-imidazole hydrochloride
CID 55254361
1-Allyl-2-methyl-1H-imidazole
CID 83202
1-Allyl-3-methylimidazolium
CID 11229455
2-methyl-N-isopropenylimidazole
CID 21593522
1-methyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]imidazol-3-ium
CID 49767911

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-5H-pyrrolo[1,2-a]imidazol-1-ium?
The IUPAC name of 1,5-dimethyl-5H-pyrrolo[1,2-a]imidazol-1-ium (CID 20617616) is 1,5-dimethyl-5H-pyrrolo[1,2-a]imidazol-1-ium.
What is the SMILES notation for 1,5-dimethyl-5H-pyrrolo[1,2-a]imidazol-1-ium?
The canonical SMILES for 1,5-dimethyl-5H-pyrrolo[1,2-a]imidazol-1-ium is CC1C=Cc2n1cc[n+]2C.
What is the InChIKey of 1,5-dimethyl-5H-pyrrolo[1,2-a]imidazol-1-ium?
The InChIKey is XLIVXSSXEYDVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N2/c1-7-3-4-8-9(2)5-6-10(7)8/h3-7H,1-2H3/q+1.
What are the key properties of 1,5-dimethyl-5H-pyrrolo[1,2-a]imidazol-1-ium?
1,5-dimethyl-5H-pyrrolo[1,2-a]imidazol-1-ium has a molecular weight of 135.19 g/mol, XLogP of 0.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-5H-pyrrolo[1,2-a]imidazol-1-ium is sourced from PubChem (CID 20617616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).