3-but-2-en-2-yl-5-methyl-4H-imidazol-4-ide;yttrium

C₈H₁₀N₂Y-2 — CID 58883704

About 3-but-2-en-2-yl-5-methyl-4H-imidazol-4-ide;yttrium

3-but-2-en-2-yl-5-methyl-4H-imidazol-4-ide;yttrium (PubChem CID 58883704) has the molecular formula C₈H₁₀N₂Y-2 and a molecular weight of 223.09 g/mol. Its IUPAC name is 3-but-2-en-2-yl-5-methyl-4H-imidazol-4-ide;yttrium.

Molecular Properties

• Compound Name: 3-but-2-en-2-yl-5-methyl-4H-imidazol-4-ide;yttrium
• PubChem CID: 58883704
• Molecular Formula: C₈H₁₀N₂Y-2
• Molecular Weight: 223.09 g/mol
• Exact Mass: 222.99
• IUPAC Name: 3-but-2-en-2-yl-5-methyl-4H-imidazol-4-ide;yttrium
• SMILES: C/[C-]=C(\C)n1[c-]c(C)nc1.[Y]
• InChI: InChI=1S/C8H10N2.Y/c1-4-8(3)10-5-7(2)9-6-10;/h6H,1-3H3;/q-2
• InChIKey: MNTWFSPBHQKPCA-UHFFFAOYSA-N
• XLogP: 1.67
• TPSA: 17.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	223.09
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-but-2-en-2-yl-5-methyl-4H-imidazol-4-ide;yttrium?

The IUPAC name of 3-but-2-en-2-yl-5-methyl-4H-imidazol-4-ide;yttrium (CID 58883704) is 3-but-2-en-2-yl-5-methyl-4H-imidazol-4-ide;yttrium.

What is the SMILES notation for 3-but-2-en-2-yl-5-methyl-4H-imidazol-4-ide;yttrium?

The canonical SMILES for 3-but-2-en-2-yl-5-methyl-4H-imidazol-4-ide;yttrium is C/[C-]=C(\C)n1[c-]c(C)nc1.[Y].

What is the InChIKey of 3-but-2-en-2-yl-5-methyl-4H-imidazol-4-ide;yttrium?

The InChIKey is MNTWFSPBHQKPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2.Y/c1-4-8(3)10-5-7(2)9-6-10;/h6H,1-3H3;/q-2;.

What are the key properties of 3-but-2-en-2-yl-5-methyl-4H-imidazol-4-ide;yttrium?

3-but-2-en-2-yl-5-methyl-4H-imidazol-4-ide;yttrium has a molecular weight of 223.09 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-but-2-en-2-yl-5-methyl-4H-imidazol-4-ide;yttrium is sourced from PubChem (CID 58883704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 58883704 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.