1-ethyl-3-methyl-2-methylideneimidazole-1,3-diium

C7H12N2+2 — CID 149354269

IUPAC1-ethyl-3-methyl-2-methylideneimidazole-1,3-diium
SMILESC=C1[N+](C)=CC=[N+]1CC
InChIInChI=1S/C7H12N2/c1-4-9-6-5-8(3)7(9)2/h5-6H,2,4H2,1,3H3/q+2
InChIKeyYGPZJRXRRHDWAR-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.29
Rot. Bonds1

About 1-ethyl-3-methyl-2-methylideneimidazole-1,3-diium

1-ethyl-3-methyl-2-methylideneimidazole-1,3-diium (PubChem CID 149354269) has the molecular formula C7H12N2+2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 1-ethyl-3-methyl-2-methylideneimidazole-1,3-diium.

Molecular Properties

Compound Name1-ethyl-3-methyl-2-methylideneimidazole-1,3-diium
PubChem CID149354269
Molecular FormulaC7H12N2+2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name1-ethyl-3-methyl-2-methylideneimidazole-1,3-diium
SMILESC=C1[N+](C)=CC=[N+]1CC
InChIInChI=1S/C7H12N2/c1-4-9-6-5-8(3)7(9)2/h5-6H,2,4H2,1,3H3/q+2
InChIKeyYGPZJRXRRHDWAR-UHFFFAOYSA-N
XLogP0.29
TPSA6.02 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.29
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

6-Dimethylamino-2,5-diazafulvene
CID 10396839
1-ethyl-3-methyl-2H-imidazole-1,3-diium
CID 5248662
3-Ethenyl-2,4-dihydroimidazole
CID 54420870
(7Z)-1,3-dimethyl-2-methylidene-4H-1,3,6-triazocine
CID 57785784
1,3-dimethyl-2-methylidene-5,8-dihydro-4H-1,3,6-triazocine
CID 57785786
3,5-Dimethyl-4-methylidene-2,6-dihydro-1,3,5-triazepine
CID 57786247
CID 58766108
CID 58766108
3-methyl-2-methylidene-4H-imidazole
CID 67978385
2-(3-methyl-4H-imidazol-2-ylidene)imidazole
CID 69292684
1,3-dimethyl-2-methylidene-4H-1,3,6-triazocine
CID 76605140
3-Ethenyl-2-methyl-2,4-dihydroimidazole
CID 90776816
ethane;N-methylethanimine;1-N,1-N,1-N',1-N'-tetramethylethene-1,1-diamine
CID 143837560

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-2-methylideneimidazole-1,3-diium?
The IUPAC name of 1-ethyl-3-methyl-2-methylideneimidazole-1,3-diium (CID 149354269) is 1-ethyl-3-methyl-2-methylideneimidazole-1,3-diium.
What is the SMILES notation for 1-ethyl-3-methyl-2-methylideneimidazole-1,3-diium?
The canonical SMILES for 1-ethyl-3-methyl-2-methylideneimidazole-1,3-diium is C=C1[N+](C)=CC=[N+]1CC.
What is the InChIKey of 1-ethyl-3-methyl-2-methylideneimidazole-1,3-diium?
The InChIKey is YGPZJRXRRHDWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-4-9-6-5-8(3)7(9)2/h5-6H,2,4H2,1,3H3/q+2.
What are the key properties of 1-ethyl-3-methyl-2-methylideneimidazole-1,3-diium?
1-ethyl-3-methyl-2-methylideneimidazole-1,3-diium has a molecular weight of 124.19 g/mol, XLogP of 0.29, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-2-methylideneimidazole-1,3-diium is sourced from PubChem (CID 149354269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).