1-(3-methylbut-1-en-2-yl)-4,5-dihydro-2H-imidazol-2-ide;yttrium

C8H12N2Y-2 — CID 164767531

IUPAC1-(3-methylbut-1-en-2-yl)-4,5-dihydro-2H-imidazol-2-ide;yttrium
SMILES[H]/[C-]=C(\C(C)C)N1[C-]=NCC1.[Y]
InChIInChI=1S/C8H12N2.Y/c1-7(2)8(3)10-5-4-9-6-10;/h3,7H,4-5H2,1-2H3;/q-2;
InChIKeyOGTZRRMMENPREM-UHFFFAOYSA-N
MW225.10 g/mol
LogP1.18
Rot. Bonds2

About 1-(3-methylbut-1-en-2-yl)-4,5-dihydro-2H-imidazol-2-ide;yttrium

1-(3-methylbut-1-en-2-yl)-4,5-dihydro-2H-imidazol-2-ide;yttrium (PubChem CID 164767531) has the molecular formula C8H12N2Y-2 and a molecular weight of 225.10 g/mol. Its IUPAC name is 1-(3-methylbut-1-en-2-yl)-4,5-dihydro-2H-imidazol-2-ide;yttrium.

Molecular Properties

Compound Name1-(3-methylbut-1-en-2-yl)-4,5-dihydro-2H-imidazol-2-ide;yttrium
PubChem CID164767531
Molecular FormulaC8H12N2Y-2
Molecular Weight225.10 g/mol
Exact Mass225.01
IUPAC Name1-(3-methylbut-1-en-2-yl)-4,5-dihydro-2H-imidazol-2-ide;yttrium
SMILES[H]/[C-]=C(\C(C)C)N1[C-]=NCC1.[Y]
InChIInChI=1S/C8H12N2.Y/c1-7(2)8(3)10-5-4-9-6-10;/h3,7H,4-5H2,1-2H3;/q-2;
InChIKeyOGTZRRMMENPREM-UHFFFAOYSA-N
XLogP1.18
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.10
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-1-en-2-yl)-4,5-dihydro-2H-imidazol-2-ide;yttrium?
The IUPAC name of 1-(3-methylbut-1-en-2-yl)-4,5-dihydro-2H-imidazol-2-ide;yttrium (CID 164767531) is 1-(3-methylbut-1-en-2-yl)-4,5-dihydro-2H-imidazol-2-ide;yttrium.
What is the SMILES notation for 1-(3-methylbut-1-en-2-yl)-4,5-dihydro-2H-imidazol-2-ide;yttrium?
The canonical SMILES for 1-(3-methylbut-1-en-2-yl)-4,5-dihydro-2H-imidazol-2-ide;yttrium is [H]/[C-]=C(\C(C)C)N1[C-]=NCC1.[Y].
What is the InChIKey of 1-(3-methylbut-1-en-2-yl)-4,5-dihydro-2H-imidazol-2-ide;yttrium?
The InChIKey is OGTZRRMMENPREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.Y/c1-7(2)8(3)10-5-4-9-6-10;/h3,7H,4-5H2,1-2H3;/q-2;.
What are the key properties of 1-(3-methylbut-1-en-2-yl)-4,5-dihydro-2H-imidazol-2-ide;yttrium?
1-(3-methylbut-1-en-2-yl)-4,5-dihydro-2H-imidazol-2-ide;yttrium has a molecular weight of 225.10 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-1-en-2-yl)-4,5-dihydro-2H-imidazol-2-ide;yttrium is sourced from PubChem (CID 164767531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).