1-(3-methylbut-1-enyl)-2H-imidazol-2-ide;yttrium

C8H10N2Y-2 — CID 164767496

IUPAC1-(3-methylbut-1-enyl)-2H-imidazol-2-ide;yttrium
SMILESCC(C)/[C-]=C/n1[c-]ncc1.[Y]
InChIInChI=1S/C8H10N2.Y/c1-8(2)3-5-10-6-4-9-7-10;/h4-6,8H,1-2H3;/q-2;
InChIKeyPAHQTFIUTSORSQ-UHFFFAOYSA-N
MW223.09 g/mol
LogP1.61
Rot. Bonds2

About 1-(3-methylbut-1-enyl)-2H-imidazol-2-ide;yttrium

1-(3-methylbut-1-enyl)-2H-imidazol-2-ide;yttrium (PubChem CID 164767496) has the molecular formula C8H10N2Y-2 and a molecular weight of 223.09 g/mol. Its IUPAC name is 1-(3-methylbut-1-enyl)-2H-imidazol-2-ide;yttrium.

Molecular Properties

Compound Name1-(3-methylbut-1-enyl)-2H-imidazol-2-ide;yttrium
PubChem CID164767496
Molecular FormulaC8H10N2Y-2
Molecular Weight223.09 g/mol
Exact Mass222.99
IUPAC Name1-(3-methylbut-1-enyl)-2H-imidazol-2-ide;yttrium
SMILESCC(C)/[C-]=C/n1[c-]ncc1.[Y]
InChIInChI=1S/C8H10N2.Y/c1-8(2)3-5-10-6-4-9-7-10;/h4-6,8H,1-2H3;/q-2;
InChIKeyPAHQTFIUTSORSQ-UHFFFAOYSA-N
XLogP1.61
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.09
LogP ≤ 51.61
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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Related Compounds

1-(3-methylbut-1-en-2-yl)-2H-imidazol-2-ide;yttrium
CID 164767443
1-(3-methylbut-1-enyl)-4,5-dihydro-2H-imidazol-2-ide;yttrium
CID 164767481
1-(3,3-dimethylbut-1-enyl)-2H-imidazol-2-ide;yttrium
CID 170667215
1-ethenyl-4-propan-2-yl-2H-imidazol-2-ide;yttrium
CID 178123389
1-ethenyl-4-ethyl-2H-imidazol-2-ide;yttrium
CID 178123959

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-1-enyl)-2H-imidazol-2-ide;yttrium?
The IUPAC name of 1-(3-methylbut-1-enyl)-2H-imidazol-2-ide;yttrium (CID 164767496) is 1-(3-methylbut-1-enyl)-2H-imidazol-2-ide;yttrium.
What is the SMILES notation for 1-(3-methylbut-1-enyl)-2H-imidazol-2-ide;yttrium?
The canonical SMILES for 1-(3-methylbut-1-enyl)-2H-imidazol-2-ide;yttrium is CC(C)/[C-]=C/n1[c-]ncc1.[Y].
What is the InChIKey of 1-(3-methylbut-1-enyl)-2H-imidazol-2-ide;yttrium?
The InChIKey is PAHQTFIUTSORSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2.Y/c1-8(2)3-5-10-6-4-9-7-10;/h4-6,8H,1-2H3;/q-2;.
What are the key properties of 1-(3-methylbut-1-enyl)-2H-imidazol-2-ide;yttrium?
1-(3-methylbut-1-enyl)-2H-imidazol-2-ide;yttrium has a molecular weight of 223.09 g/mol, XLogP of 1.61, 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-enyl)-2H-imidazol-2-ide;yttrium is sourced from PubChem (CID 164767496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).