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

C8H10N2Y-2 — CID 58883704

IUPAC3-but-2-en-2-yl-5-methyl-4H-imidazol-4-ide;yttrium
SMILESC/[C-]=C(\C)n1[c-]c(C)nc1.[Y]
InChIInChI=1S/C8H10N2.Y/c1-4-8(3)10-5-7(2)9-6-10;/h6H,1-3H3;/q-2;
InChIKeyMNTWFSPBHQKPCA-UHFFFAOYSA-N
MW223.09 g/mol
LogP1.67
Rot. Bonds1

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 Name3-but-2-en-2-yl-5-methyl-4H-imidazol-4-ide;yttrium
PubChem CID58883704
Molecular FormulaC8H10N2Y-2
Molecular Weight223.09 g/mol
Exact Mass222.99
IUPAC Name3-but-2-en-2-yl-5-methyl-4H-imidazol-4-ide;yttrium
SMILESC/[C-]=C(\C)n1[c-]c(C)nc1.[Y]
InChIInChI=1S/C8H10N2.Y/c1-4-8(3)10-5-7(2)9-6-10;/h6H,1-3H3;/q-2;
InChIKeyMNTWFSPBHQKPCA-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-but-2-en-2-yl-4-methyl-2H-imidazol-2-ide;yttrium
CID 58883621
CID 58883666
CID 58883666
4,5-dimethyl-1-prop-1-enyl-2H-imidazol-2-ide;yttrium
CID 58883670
1-ethyl-4,5-dimethyl-2H-imidazol-2-ide;yttrium
CID 59369889
1,5-dimethyl-4H-imidazol-4-ide;yttrium
CID 59915028
1,1,4,5-Tetramethylimidazol-1-ium
CID 147295703
1,5-dimethyl-4H-imidazol-4-ide;yttrium(3+)
CID 23392037

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).