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

C9H12N2Y-2 — CID 170667215

IUPAC1-(3,3-dimethylbut-1-enyl)-2H-imidazol-2-ide;yttrium
SMILESCC(C)(C)/[C-]=C/n1[c-]ncc1.[Y]
InChIInChI=1S/C9H12N2.Y/c1-9(2,3)4-6-11-7-5-10-8-11;/h5-7H,1-3H3;/q-2;
InChIKeyFDZHQIKZNHGXMC-UHFFFAOYSA-N
MW237.12 g/mol
LogP2.00
Rot. Bonds1

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

1-(3,3-dimethylbut-1-enyl)-2H-imidazol-2-ide;yttrium (PubChem CID 170667215) has the molecular formula C9H12N2Y-2 and a molecular weight of 237.12 g/mol. Its IUPAC name is 1-(3,3-dimethylbut-1-enyl)-2H-imidazol-2-ide;yttrium.

Molecular Properties

Compound Name1-(3,3-dimethylbut-1-enyl)-2H-imidazol-2-ide;yttrium
PubChem CID170667215
Molecular FormulaC9H12N2Y-2
Molecular Weight237.12 g/mol
Exact Mass237.01
IUPAC Name1-(3,3-dimethylbut-1-enyl)-2H-imidazol-2-ide;yttrium
SMILESCC(C)(C)/[C-]=C/n1[c-]ncc1.[Y]
InChIInChI=1S/C9H12N2.Y/c1-9(2,3)4-6-11-7-5-10-8-11;/h5-7H,1-3H3;/q-2;
InChIKeyFDZHQIKZNHGXMC-UHFFFAOYSA-N
XLogP2.00
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.12
LogP ≤ 52.00
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-enyl)-2H-imidazol-2-ide;yttrium
CID 164767496
1-(3,3-dimethylbut-1-enyl)-4,5-dihydro-2H-imidazol-2-ide;yttrium
CID 170667192
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-(3,3-dimethylbut-1-enyl)-2H-imidazol-2-ide;yttrium?
The IUPAC name of 1-(3,3-dimethylbut-1-enyl)-2H-imidazol-2-ide;yttrium (CID 170667215) is 1-(3,3-dimethylbut-1-enyl)-2H-imidazol-2-ide;yttrium.
What is the SMILES notation for 1-(3,3-dimethylbut-1-enyl)-2H-imidazol-2-ide;yttrium?
The canonical SMILES for 1-(3,3-dimethylbut-1-enyl)-2H-imidazol-2-ide;yttrium is CC(C)(C)/[C-]=C/n1[c-]ncc1.[Y].
What is the InChIKey of 1-(3,3-dimethylbut-1-enyl)-2H-imidazol-2-ide;yttrium?
The InChIKey is FDZHQIKZNHGXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2.Y/c1-9(2,3)4-6-11-7-5-10-8-11;/h5-7H,1-3H3;/q-2;.
What are the key properties of 1-(3,3-dimethylbut-1-enyl)-2H-imidazol-2-ide;yttrium?
1-(3,3-dimethylbut-1-enyl)-2H-imidazol-2-ide;yttrium has a molecular weight of 237.12 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbut-1-enyl)-2H-imidazol-2-ide;yttrium is sourced from PubChem (CID 170667215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).