5-ethenyl-2-methyl-4,5-dihydro-1H-imidazole

C6H10N2 — CID 54494707

IUPAC5-ethenyl-2-methyl-4,5-dihydro-1H-imidazole
SMILESC=CC1CN=C(C)N1
InChIInChI=1S/C6H10N2/c1-3-6-4-7-5(2)8-6/h3,6H,1,4H2,2H3,(H,7,8)
InChIKeyXYFUODJCNNUYFX-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.56
Rot. Bonds1

About 5-ethenyl-2-methyl-4,5-dihydro-1H-imidazole

5-ethenyl-2-methyl-4,5-dihydro-1H-imidazole (PubChem CID 54494707) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 5-ethenyl-2-methyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name5-ethenyl-2-methyl-4,5-dihydro-1H-imidazole
PubChem CID54494707
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name5-ethenyl-2-methyl-4,5-dihydro-1H-imidazole
SMILESC=CC1CN=C(C)N1
InChIInChI=1S/C6H10N2/c1-3-6-4-7-5(2)8-6/h3,6H,1,4H2,2H3,(H,7,8)
InChIKeyXYFUODJCNNUYFX-UHFFFAOYSA-N
XLogP0.56
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2-methyl-4,5-dihydro-1H-imidazole?
The IUPAC name of 5-ethenyl-2-methyl-4,5-dihydro-1H-imidazole (CID 54494707) is 5-ethenyl-2-methyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 5-ethenyl-2-methyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for 5-ethenyl-2-methyl-4,5-dihydro-1H-imidazole is C=CC1CN=C(C)N1.
What is the InChIKey of 5-ethenyl-2-methyl-4,5-dihydro-1H-imidazole?
The InChIKey is XYFUODJCNNUYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-3-6-4-7-5(2)8-6/h3,6H,1,4H2,2H3,(H,7,8).
What are the key properties of 5-ethenyl-2-methyl-4,5-dihydro-1H-imidazole?
5-ethenyl-2-methyl-4,5-dihydro-1H-imidazole has a molecular weight of 110.16 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-methyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 54494707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).