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

C8H10N2Y-2 — CID 58883621

IUPAC1-but-2-en-2-yl-4-methyl-2H-imidazol-2-ide;yttrium
SMILESC/[C-]=C(\C)n1[c-]nc(C)c1.[Y]
InChIInChI=1S/C8H10N2.Y/c1-4-8(3)10-5-7(2)9-6-10;/h5H,1-3H3;/q-2;
InChIKeyCNNAPVHAYLTTQF-UHFFFAOYSA-N
MW223.09 g/mol
LogP1.67
Rot. Bonds1

About 1-but-2-en-2-yl-4-methyl-2H-imidazol-2-ide;yttrium

1-but-2-en-2-yl-4-methyl-2H-imidazol-2-ide;yttrium (PubChem CID 58883621) has the molecular formula C8H10N2Y-2 and a molecular weight of 223.09 g/mol. Its IUPAC name is 1-but-2-en-2-yl-4-methyl-2H-imidazol-2-ide;yttrium.

Molecular Properties

Compound Name1-but-2-en-2-yl-4-methyl-2H-imidazol-2-ide;yttrium
PubChem CID58883621
Molecular FormulaC8H10N2Y-2
Molecular Weight223.09 g/mol
Exact Mass222.99
IUPAC Name1-but-2-en-2-yl-4-methyl-2H-imidazol-2-ide;yttrium
SMILESC/[C-]=C(\C)n1[c-]nc(C)c1.[Y]
InChIInChI=1S/C8H10N2.Y/c1-4-8(3)10-5-7(2)9-6-10;/h5H,1-3H3;/q-2;
InChIKeyCNNAPVHAYLTTQF-UHFFFAOYSA-N
XLogP1.67
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.09
LogP ≤ 51.67
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-ethenyl-5-methyl-2H-imidazol-2-ide;tungsten(2+)
CID 23571382
4-methyl-1-propan-2-yl-2H-imidazol-2-ide;yttrium
CID 57603273
2,5-dimethyl-3-prop-1-enyl-4H-imidazol-4-ide;yttrium
CID 58883613
3-but-2-en-2-yl-2-methyl-4H-imidazol-4-ide;yttrium
CID 58883619
4,5-dimethyl-1-prop-1-enyl-2H-imidazol-2-ide;yttrium
CID 58883670
3-but-2-en-2-yl-5-methyl-4H-imidazol-4-ide;yttrium
CID 58883704
1,5-dimethyl-2H-imidazol-2-ide;yttrium
CID 60087250
1,1,5-Trimethylimidazol-1-ium
CID 148207521
1,4-dimethyl-2H-imidazol-2-ide;yttrium
CID 153329891
1-but-2-en-2-yl-4-methyl-2H-imidazol-2-ide;4,5-dimethyl-1-prop-1-enyl-2H-imidazol-2-ide;bis(yttrium)
CID 160644678
carbanide;1-ethyl-4-methyl-2H-imidazol-2-ide;yttrium
CID 178123883
1-ethenyl-4-ethyl-2H-imidazol-2-ide;yttrium
CID 178123959

Frequently Asked Questions

What is the IUPAC name of 1-but-2-en-2-yl-4-methyl-2H-imidazol-2-ide;yttrium?
The IUPAC name of 1-but-2-en-2-yl-4-methyl-2H-imidazol-2-ide;yttrium (CID 58883621) is 1-but-2-en-2-yl-4-methyl-2H-imidazol-2-ide;yttrium.
What is the SMILES notation for 1-but-2-en-2-yl-4-methyl-2H-imidazol-2-ide;yttrium?
The canonical SMILES for 1-but-2-en-2-yl-4-methyl-2H-imidazol-2-ide;yttrium is C/[C-]=C(\C)n1[c-]nc(C)c1.[Y].
What is the InChIKey of 1-but-2-en-2-yl-4-methyl-2H-imidazol-2-ide;yttrium?
The InChIKey is CNNAPVHAYLTTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2.Y/c1-4-8(3)10-5-7(2)9-6-10;/h5H,1-3H3;/q-2;.
What are the key properties of 1-but-2-en-2-yl-4-methyl-2H-imidazol-2-ide;yttrium?
1-but-2-en-2-yl-4-methyl-2H-imidazol-2-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 1-but-2-en-2-yl-4-methyl-2H-imidazol-2-ide;yttrium is sourced from PubChem (CID 58883621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).