1-(3-methylbut-1-enyl)-4,5-dihydro-2H-imidazol-2-ide;yttrium

C8H12N2Y-2 — CID 164767481

IUPAC1-(3-methylbut-1-enyl)-4,5-dihydro-2H-imidazol-2-ide;yttrium
SMILESCC(C)/[C-]=C/N1[C-]=NCC1.[Y]
InChIInChI=1S/C8H12N2.Y/c1-8(2)3-5-10-6-4-9-7-10;/h5,8H,4,6H2,1-2H3;/q-2;
InChIKeyUHXUDNAUEJRYOY-UHFFFAOYSA-N
MW225.10 g/mol
LogP1.18
Rot. Bonds2

About 1-(3-methylbut-1-enyl)-4,5-dihydro-2H-imidazol-2-ide;yttrium

1-(3-methylbut-1-enyl)-4,5-dihydro-2H-imidazol-2-ide;yttrium (PubChem CID 164767481) has the molecular formula C8H12N2Y-2 and a molecular weight of 225.10 g/mol. Its IUPAC name is 1-(3-methylbut-1-enyl)-4,5-dihydro-2H-imidazol-2-ide;yttrium.

Molecular Properties

Compound Name1-(3-methylbut-1-enyl)-4,5-dihydro-2H-imidazol-2-ide;yttrium
PubChem CID164767481
Molecular FormulaC8H12N2Y-2
Molecular Weight225.10 g/mol
Exact Mass225.01
IUPAC Name1-(3-methylbut-1-enyl)-4,5-dihydro-2H-imidazol-2-ide;yttrium
SMILESCC(C)/[C-]=C/N1[C-]=NCC1.[Y]
InChIInChI=1S/C8H12N2.Y/c1-8(2)3-5-10-6-4-9-7-10;/h5,8H,4,6H2,1-2H3;/q-2;
InChIKeyUHXUDNAUEJRYOY-UHFFFAOYSA-N
XLogP1.18
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.10
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-methylbut-1-enyl)-4,5-dihydro-2H-imidazol-2-ide;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-1-enyl)-4,5-dihydro-2H-imidazol-2-ide;yttrium?
The IUPAC name of 1-(3-methylbut-1-enyl)-4,5-dihydro-2H-imidazol-2-ide;yttrium (CID 164767481) is 1-(3-methylbut-1-enyl)-4,5-dihydro-2H-imidazol-2-ide;yttrium.
What is the SMILES notation for 1-(3-methylbut-1-enyl)-4,5-dihydro-2H-imidazol-2-ide;yttrium?
The canonical SMILES for 1-(3-methylbut-1-enyl)-4,5-dihydro-2H-imidazol-2-ide;yttrium is CC(C)/[C-]=C/N1[C-]=NCC1.[Y].
What is the InChIKey of 1-(3-methylbut-1-enyl)-4,5-dihydro-2H-imidazol-2-ide;yttrium?
The InChIKey is UHXUDNAUEJRYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.Y/c1-8(2)3-5-10-6-4-9-7-10;/h5,8H,4,6H2,1-2H3;/q-2;.
What are the key properties of 1-(3-methylbut-1-enyl)-4,5-dihydro-2H-imidazol-2-ide;yttrium?
1-(3-methylbut-1-enyl)-4,5-dihydro-2H-imidazol-2-ide;yttrium has a molecular weight of 225.10 g/mol, XLogP of 1.18, 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)-4,5-dihydro-2H-imidazol-2-ide;yttrium is sourced from PubChem (CID 164767481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).