3-but-2-en-2-yl-2-methyl-4H-imidazol-4-ide;3-but-2-en-2-yl-5-methyl-4H-imidazol-4-ide;2,5-dimethyl-3-prop-1-enyl-4H-imidazol-4-ide;tris(yttrium)

C24H30N6Y3-6 — CID 161423523

IUPAC3-but-2-en-2-yl-2-methyl-4H-imidazol-4-ide;3-but-2-en-2-yl-5-methyl-4H-imidazol-4-ide;2,5-dimethyl-3-prop-1-enyl-4H-imidazol-4-ide;tris(yttrium)
SMILESC/[C-]=C(\C)n1[c-]c(C)nc1.C/[C-]=C(\C)n1[c-]cnc1C.C/[C-]=C/n1[c-]c(C)nc1C.[Y].[Y].[Y]
InChIInChI=1S/3C8H10N2.3Y/c1-4-8(3)10-5-7(2)9-6-10;1-4-7(2)10-6-5-9-8(10)3;1-4-5-10-6-7(2)9-8(10)3;;;/h6H,1-3H3;2*5H,1-3H3;;;/q3*-2;;;
InChIKeyDSARFRVSSBNKDV-UHFFFAOYSA-N
MW669.26 g/mol
LogP4.94
Rot. Bonds3

About 3-but-2-en-2-yl-2-methyl-4H-imidazol-4-ide;3-but-2-en-2-yl-5-methyl-4H-imidazol-4-ide;2,5-dimethyl-3-prop-1-enyl-4H-imidazol-4-ide;tris(yttrium)

3-but-2-en-2-yl-2-methyl-4H-imidazol-4-ide;3-but-2-en-2-yl-5-methyl-4H-imidazol-4-ide;2,5-dimethyl-3-prop-1-enyl-4H-imidazol-4-ide;tris(yttrium) (PubChem CID 161423523) has the molecular formula C24H30N6Y3-6 and a molecular weight of 669.26 g/mol. Its IUPAC name is 3-but-2-en-2-yl-2-methyl-4H-imidazol-4-ide;3-but-2-en-2-yl-5-methyl-4H-imidazol-4-ide;2,5-dimethyl-3-prop-1-enyl-4H-imidazol-4-ide;tris(yttrium).

Molecular Properties

Compound Name3-but-2-en-2-yl-2-methyl-4H-imidazol-4-ide;3-but-2-en-2-yl-5-methyl-4H-imidazol-4-ide;2,5-dimethyl-3-prop-1-enyl-4H-imidazol-4-ide;tris(yttrium)
PubChem CID161423523
Molecular FormulaC24H30N6Y3-6
Molecular Weight669.26 g/mol
Exact Mass668.97
IUPAC Name3-but-2-en-2-yl-2-methyl-4H-imidazol-4-ide;3-but-2-en-2-yl-5-methyl-4H-imidazol-4-ide;2,5-dimethyl-3-prop-1-enyl-4H-imidazol-4-ide;tris(yttrium)
SMILESC/[C-]=C(\C)n1[c-]c(C)nc1.C/[C-]=C(\C)n1[c-]cnc1C.C/[C-]=C/n1[c-]c(C)nc1C.[Y].[Y].[Y]
InChIInChI=1S/3C8H10N2.3Y/c1-4-8(3)10-5-7(2)9-6-10;1-4-7(2)10-6-5-9-8(10)3;1-4-5-10-6-7(2)9-8(10)3;;;/h6H,1-3H3;2*5H,1-3H3;;;/q3*-2;;;
InChIKeyDSARFRVSSBNKDV-UHFFFAOYSA-N
XLogP4.94
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500669.26
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-but-2-en-2-yl-2-methyl-4H-imidazol-4-ide;3-but-2-en-2-yl-5-methyl-4H-imidazol-4-ide;2,5-dimethyl-3-prop-1-enyl-4H-imidazol-4-ide;tris(yttrium) with MolForge

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Launch Full Analysis

Related Compounds

3-but-2-en-2-yl-2-methyl-4H-imidazol-4-id-5-amine;3-but-2-en-2-yl-5-methyl-4H-imidazol-4-id-2-amine;3-but-2-en-2-yl-2-methyl-4H-imidazol-4-ide;3-but-2-en-2-yl-5-methyl-4H-imidazol-4-ide;1-(2,5-dimethyl-4H-imidazol-4-id-3-yl)prop-1-en-1-amine;2,5-dimethyl-3-prop-1-enyl-4H-imidazol-4-ide;methane;hexakis(yttrium)
CID 158812615
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

Frequently Asked Questions

What is the IUPAC name of 3-but-2-en-2-yl-2-methyl-4H-imidazol-4-ide;3-but-2-en-2-yl-5-methyl-4H-imidazol-4-ide;2,5-dimethyl-3-prop-1-enyl-4H-imidazol-4-ide;tris(yttrium)?
The IUPAC name of 3-but-2-en-2-yl-2-methyl-4H-imidazol-4-ide;3-but-2-en-2-yl-5-methyl-4H-imidazol-4-ide;2,5-dimethyl-3-prop-1-enyl-4H-imidazol-4-ide;tris(yttrium) (CID 161423523) is 3-but-2-en-2-yl-2-methyl-4H-imidazol-4-ide;3-but-2-en-2-yl-5-methyl-4H-imidazol-4-ide;2,5-dimethyl-3-prop-1-enyl-4H-imidazol-4-ide;tris(yttrium).
What is the SMILES notation for 3-but-2-en-2-yl-2-methyl-4H-imidazol-4-ide;3-but-2-en-2-yl-5-methyl-4H-imidazol-4-ide;2,5-dimethyl-3-prop-1-enyl-4H-imidazol-4-ide;tris(yttrium)?
The canonical SMILES for 3-but-2-en-2-yl-2-methyl-4H-imidazol-4-ide;3-but-2-en-2-yl-5-methyl-4H-imidazol-4-ide;2,5-dimethyl-3-prop-1-enyl-4H-imidazol-4-ide;tris(yttrium) is C/[C-]=C(\C)n1[c-]c(C)nc1.C/[C-]=C(\C)n1[c-]cnc1C.C/[C-]=C/n1[c-]c(C)nc1C.[Y].[Y].[Y].
What is the InChIKey of 3-but-2-en-2-yl-2-methyl-4H-imidazol-4-ide;3-but-2-en-2-yl-5-methyl-4H-imidazol-4-ide;2,5-dimethyl-3-prop-1-enyl-4H-imidazol-4-ide;tris(yttrium)?
The InChIKey is DSARFRVSSBNKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H10N2.3Y/c1-4-8(3)10-5-7(2)9-6-10;1-4-7(2)10-6-5-9-8(10)3;1-4-5-10-6-7(2)9-8(10)3;;;/h6H,1-3H3;2*5H,1-3H3;;;/q3*-2;;;.
What are the key properties of 3-but-2-en-2-yl-2-methyl-4H-imidazol-4-ide;3-but-2-en-2-yl-5-methyl-4H-imidazol-4-ide;2,5-dimethyl-3-prop-1-enyl-4H-imidazol-4-ide;tris(yttrium)?
3-but-2-en-2-yl-2-methyl-4H-imidazol-4-ide;3-but-2-en-2-yl-5-methyl-4H-imidazol-4-ide;2,5-dimethyl-3-prop-1-enyl-4H-imidazol-4-ide;tris(yttrium) has a molecular weight of 669.26 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-2-en-2-yl-2-methyl-4H-imidazol-4-ide;3-but-2-en-2-yl-5-methyl-4H-imidazol-4-ide;2,5-dimethyl-3-prop-1-enyl-4H-imidazol-4-ide;tris(yttrium) is sourced from PubChem (CID 161423523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).