4,5-dimethyl-2,3-dihydropyrrol-2-ide;yttrium

C6H8NY- — CID 59009700

IUPAC4,5-dimethyl-2,3-dihydropyrrol-2-ide;yttrium
SMILESCC1=C(C)N=[C-]C1.[Y]
InChIInChI=1S/C6H8N.Y/c1-5-3-4-7-6(5)2;/h3H2,1-2H3;/q-1;
InChIKeyFYFLMAPVTOBZQK-UHFFFAOYSA-N
MW183.04 g/mol
LogP1.63
Rot. Bonds

About 4,5-dimethyl-2,3-dihydropyrrol-2-ide;yttrium

4,5-dimethyl-2,3-dihydropyrrol-2-ide;yttrium (PubChem CID 59009700) has the molecular formula C6H8NY- and a molecular weight of 183.04 g/mol. Its IUPAC name is 4,5-dimethyl-2,3-dihydropyrrol-2-ide;yttrium.

Molecular Properties

Compound Name4,5-dimethyl-2,3-dihydropyrrol-2-ide;yttrium
PubChem CID59009700
Molecular FormulaC6H8NY-
Molecular Weight183.04 g/mol
Exact Mass182.97
IUPAC Name4,5-dimethyl-2,3-dihydropyrrol-2-ide;yttrium
SMILESCC1=C(C)N=[C-]C1.[Y]
InChIInChI=1S/C6H8N.Y/c1-5-3-4-7-6(5)2;/h3H2,1-2H3;/q-1;
InChIKeyFYFLMAPVTOBZQK-UHFFFAOYSA-N
XLogP1.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.04
LogP ≤ 51.63
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2,3-dihydropyrrol-2-ide;yttrium?
The IUPAC name of 4,5-dimethyl-2,3-dihydropyrrol-2-ide;yttrium (CID 59009700) is 4,5-dimethyl-2,3-dihydropyrrol-2-ide;yttrium.
What is the SMILES notation for 4,5-dimethyl-2,3-dihydropyrrol-2-ide;yttrium?
The canonical SMILES for 4,5-dimethyl-2,3-dihydropyrrol-2-ide;yttrium is CC1=C(C)N=[C-]C1.[Y].
What is the InChIKey of 4,5-dimethyl-2,3-dihydropyrrol-2-ide;yttrium?
The InChIKey is FYFLMAPVTOBZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N.Y/c1-5-3-4-7-6(5)2;/h3H2,1-2H3;/q-1;.
What are the key properties of 4,5-dimethyl-2,3-dihydropyrrol-2-ide;yttrium?
4,5-dimethyl-2,3-dihydropyrrol-2-ide;yttrium has a molecular weight of 183.04 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2,3-dihydropyrrol-2-ide;yttrium is sourced from PubChem (CID 59009700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).