3-ethenyl-1,2-dihydropyrrol-2-ide;yttrium

C6H5NY-2 — CID 58813956

IUPAC3-ethenyl-1,2-dihydropyrrol-2-ide;yttrium
SMILES[H]/[C-]=C/c1[c-][nH]cc1.[Y]
InChIInChI=1S/C6H5N.Y/c1-2-6-3-4-7-5-6;/h1-4,7H;/q-2;
InChIKeyKGSSGYYGYXGVTA-UHFFFAOYSA-N
MW180.02 g/mol
LogP1.26
Rot. Bonds1

About 3-ethenyl-1,2-dihydropyrrol-2-ide;yttrium

3-ethenyl-1,2-dihydropyrrol-2-ide;yttrium (PubChem CID 58813956) has the molecular formula C6H5NY-2 and a molecular weight of 180.02 g/mol. Its IUPAC name is 3-ethenyl-1,2-dihydropyrrol-2-ide;yttrium.

Molecular Properties

Compound Name3-ethenyl-1,2-dihydropyrrol-2-ide;yttrium
PubChem CID58813956
Molecular FormulaC6H5NY-2
Molecular Weight180.02 g/mol
Exact Mass179.95
IUPAC Name3-ethenyl-1,2-dihydropyrrol-2-ide;yttrium
SMILES[H]/[C-]=C/c1[c-][nH]cc1.[Y]
InChIInChI=1S/C6H5N.Y/c1-2-6-3-4-7-5-6;/h1-4,7H;/q-2;
InChIKeyKGSSGYYGYXGVTA-UHFFFAOYSA-N
XLogP1.26
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.02
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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 3-ethenyl-1,2-dihydropyrrol-2-ide;yttrium?
The IUPAC name of 3-ethenyl-1,2-dihydropyrrol-2-ide;yttrium (CID 58813956) is 3-ethenyl-1,2-dihydropyrrol-2-ide;yttrium.
What is the SMILES notation for 3-ethenyl-1,2-dihydropyrrol-2-ide;yttrium?
The canonical SMILES for 3-ethenyl-1,2-dihydropyrrol-2-ide;yttrium is [H]/[C-]=C/c1[c-][nH]cc1.[Y].
What is the InChIKey of 3-ethenyl-1,2-dihydropyrrol-2-ide;yttrium?
The InChIKey is KGSSGYYGYXGVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N.Y/c1-2-6-3-4-7-5-6;/h1-4,7H;/q-2;.
What are the key properties of 3-ethenyl-1,2-dihydropyrrol-2-ide;yttrium?
3-ethenyl-1,2-dihydropyrrol-2-ide;yttrium has a molecular weight of 180.02 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1,2-dihydropyrrol-2-ide;yttrium is sourced from PubChem (CID 58813956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).