1-[[2,4-bis(ethenyl)cyclopentyl]methyl]-2,3,4,5-tetramethylimidazol-3-ium

C17H27N2+ — CID 58114598

IUPAC1-[[2,4-bis(ethenyl)cyclopentyl]methyl]-2,3,4,5-tetramethylimidazol-3-ium
SMILESC=CC1CC(C=C)C(Cn2c(C)c(C)[n+](C)c2C)C1
InChIInChI=1S/C17H27N2/c1-7-15-9-16(8-2)17(10-15)11-19-13(4)12(3)18(6)14(19)5/h7-8,15-17H,1-2,9-11H2,3-6H3/q+1
InChIKeyHGUPDDHKIRBSAL-UHFFFAOYSA-N
MW259.42 g/mol
LogP3.25
Rot. Bonds4

About 1-[[2,4-bis(ethenyl)cyclopentyl]methyl]-2,3,4,5-tetramethylimidazol-3-ium

1-[[2,4-bis(ethenyl)cyclopentyl]methyl]-2,3,4,5-tetramethylimidazol-3-ium (PubChem CID 58114598) has the molecular formula C17H27N2+ and a molecular weight of 259.42 g/mol. Its IUPAC name is 1-[[2,4-bis(ethenyl)cyclopentyl]methyl]-2,3,4,5-tetramethylimidazol-3-ium.

Molecular Properties

Compound Name1-[[2,4-bis(ethenyl)cyclopentyl]methyl]-2,3,4,5-tetramethylimidazol-3-ium
PubChem CID58114598
Molecular FormulaC17H27N2+
Molecular Weight259.42 g/mol
Exact Mass259.22
IUPAC Name1-[[2,4-bis(ethenyl)cyclopentyl]methyl]-2,3,4,5-tetramethylimidazol-3-ium
SMILESC=CC1CC(C=C)C(Cn2c(C)c(C)[n+](C)c2C)C1
InChIInChI=1S/C17H27N2/c1-7-15-9-16(8-2)17(10-15)11-19-13(4)12(3)18(6)14(19)5/h7-8,15-17H,1-2,9-11H2,3-6H3/q+1
InChIKeyHGUPDDHKIRBSAL-UHFFFAOYSA-N
XLogP3.25
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[2,4-bis(ethenyl)cyclopentyl]methyl]-2,3,4,5-tetramethylimidazol-3-ium?
The IUPAC name of 1-[[2,4-bis(ethenyl)cyclopentyl]methyl]-2,3,4,5-tetramethylimidazol-3-ium (CID 58114598) is 1-[[2,4-bis(ethenyl)cyclopentyl]methyl]-2,3,4,5-tetramethylimidazol-3-ium.
What is the SMILES notation for 1-[[2,4-bis(ethenyl)cyclopentyl]methyl]-2,3,4,5-tetramethylimidazol-3-ium?
The canonical SMILES for 1-[[2,4-bis(ethenyl)cyclopentyl]methyl]-2,3,4,5-tetramethylimidazol-3-ium is C=CC1CC(C=C)C(Cn2c(C)c(C)[n+](C)c2C)C1.
What is the InChIKey of 1-[[2,4-bis(ethenyl)cyclopentyl]methyl]-2,3,4,5-tetramethylimidazol-3-ium?
The InChIKey is HGUPDDHKIRBSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N2/c1-7-15-9-16(8-2)17(10-15)11-19-13(4)12(3)18(6)14(19)5/h7-8,15-17H,1-2,9-11H2,3-6H3/q+1.
What are the key properties of 1-[[2,4-bis(ethenyl)cyclopentyl]methyl]-2,3,4,5-tetramethylimidazol-3-ium?
1-[[2,4-bis(ethenyl)cyclopentyl]methyl]-2,3,4,5-tetramethylimidazol-3-ium has a molecular weight of 259.42 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,4-bis(ethenyl)cyclopentyl]methyl]-2,3,4,5-tetramethylimidazol-3-ium is sourced from PubChem (CID 58114598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).