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

C9H14N2Y-2 — CID 170667192

IUPAC1-(3,3-dimethylbut-1-enyl)-4,5-dihydro-2H-imidazol-2-ide;yttrium
SMILESCC(C)(C)/[C-]=C/N1[C-]=NCC1.[Y]
InChIInChI=1S/C9H14N2.Y/c1-9(2,3)4-6-11-7-5-10-8-11;/h6H,5,7H2,1-3H3;/q-2;
InChIKeyPKRJAWOTPYDRNZ-UHFFFAOYSA-N
MW239.13 g/mol
LogP1.57
Rot. Bonds1

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

1-(3,3-dimethylbut-1-enyl)-4,5-dihydro-2H-imidazol-2-ide;yttrium (PubChem CID 170667192) has the molecular formula C9H14N2Y-2 and a molecular weight of 239.13 g/mol. Its IUPAC name is 1-(3,3-dimethylbut-1-enyl)-4,5-dihydro-2H-imidazol-2-ide;yttrium.

Molecular Properties

Compound Name1-(3,3-dimethylbut-1-enyl)-4,5-dihydro-2H-imidazol-2-ide;yttrium
PubChem CID170667192
Molecular FormulaC9H14N2Y-2
Molecular Weight239.13 g/mol
Exact Mass239.02
IUPAC Name1-(3,3-dimethylbut-1-enyl)-4,5-dihydro-2H-imidazol-2-ide;yttrium
SMILESCC(C)(C)/[C-]=C/N1[C-]=NCC1.[Y]
InChIInChI=1S/C9H14N2.Y/c1-9(2,3)4-6-11-7-5-10-8-11;/h6H,5,7H2,1-3H3;/q-2;
InChIKeyPKRJAWOTPYDRNZ-UHFFFAOYSA-N
XLogP1.57
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.13
LogP ≤ 51.57
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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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbut-1-enyl)-4,5-dihydro-2H-imidazol-2-ide;yttrium?
The IUPAC name of 1-(3,3-dimethylbut-1-enyl)-4,5-dihydro-2H-imidazol-2-ide;yttrium (CID 170667192) is 1-(3,3-dimethylbut-1-enyl)-4,5-dihydro-2H-imidazol-2-ide;yttrium.
What is the SMILES notation for 1-(3,3-dimethylbut-1-enyl)-4,5-dihydro-2H-imidazol-2-ide;yttrium?
The canonical SMILES for 1-(3,3-dimethylbut-1-enyl)-4,5-dihydro-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)-4,5-dihydro-2H-imidazol-2-ide;yttrium?
The InChIKey is PKRJAWOTPYDRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.Y/c1-9(2,3)4-6-11-7-5-10-8-11;/h6H,5,7H2,1-3H3;/q-2;.
What are the key properties of 1-(3,3-dimethylbut-1-enyl)-4,5-dihydro-2H-imidazol-2-ide;yttrium?
1-(3,3-dimethylbut-1-enyl)-4,5-dihydro-2H-imidazol-2-ide;yttrium has a molecular weight of 239.13 g/mol, XLogP of 1.57, 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)-4,5-dihydro-2H-imidazol-2-ide;yttrium is sourced from PubChem (CID 170667192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).