2,3-dihydropyrrol-2-ide;yttrium(3+)

C4H4NY+2 — CID 23403395

IUPAC2,3-dihydropyrrol-2-ide;yttrium(3+)
SMILES[C-]1=NC=CC1.[Y+3]
InChIInChI=1S/C4H4N.Y/c1-2-4-5-3-1;/h1,3H,2H2;/q-1;+3
InChIKeyQKJWIYGEUZZMNY-UHFFFAOYSA-N
MW154.99 g/mol
LogP0.85
Rot. Bonds

About 2,3-dihydropyrrol-2-ide;yttrium(3+)

2,3-dihydropyrrol-2-ide;yttrium(3+) (PubChem CID 23403395) has the molecular formula C4H4NY+2 and a molecular weight of 154.99 g/mol. Its IUPAC name is 2,3-dihydropyrrol-2-ide;yttrium(3+).

Molecular Properties

Compound Name2,3-dihydropyrrol-2-ide;yttrium(3+)
PubChem CID23403395
Molecular FormulaC4H4NY+2
Molecular Weight154.99 g/mol
Exact Mass154.94
IUPAC Name2,3-dihydropyrrol-2-ide;yttrium(3+)
SMILES[C-]1=NC=CC1.[Y+3]
InChIInChI=1S/C4H4N.Y/c1-2-4-5-3-1;/h1,3H,2H2;/q-1;+3
InChIKeyQKJWIYGEUZZMNY-UHFFFAOYSA-N
XLogP0.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.99
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2,3-dihydropyrrol-2-ide;yttrium(3+)?
The IUPAC name of 2,3-dihydropyrrol-2-ide;yttrium(3+) (CID 23403395) is 2,3-dihydropyrrol-2-ide;yttrium(3+).
What is the SMILES notation for 2,3-dihydropyrrol-2-ide;yttrium(3+)?
The canonical SMILES for 2,3-dihydropyrrol-2-ide;yttrium(3+) is [C-]1=NC=CC1.[Y+3].
What is the InChIKey of 2,3-dihydropyrrol-2-ide;yttrium(3+)?
The InChIKey is QKJWIYGEUZZMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N.Y/c1-2-4-5-3-1;/h1,3H,2H2;/q-1;+3.
What are the key properties of 2,3-dihydropyrrol-2-ide;yttrium(3+)?
2,3-dihydropyrrol-2-ide;yttrium(3+) has a molecular weight of 154.99 g/mol, XLogP of 0.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydropyrrol-2-ide;yttrium(3+) is sourced from PubChem (CID 23403395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).