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

C10H7NY-2 — CID 58813739

IUPAC2-phenyl-1,3-dihydropyrrol-3-ide;yttrium
SMILES[Y].[c-]1ccccc1-c1[c-]cc[nH]1
InChIInChI=1S/C10H7N.Y/c1-2-5-9(6-3-1)10-7-4-8-11-10;/h1-5,8,11H;/q-2;
InChIKeyPUFSLKBQDDFIKE-UHFFFAOYSA-N
MW230.08 g/mol
LogP2.28
Rot. Bonds1

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

2-phenyl-1,3-dihydropyrrol-3-ide;yttrium (PubChem CID 58813739) has the molecular formula C10H7NY-2 and a molecular weight of 230.08 g/mol. Its IUPAC name is 2-phenyl-1,3-dihydropyrrol-3-ide;yttrium.

Molecular Properties

Compound Name2-phenyl-1,3-dihydropyrrol-3-ide;yttrium
PubChem CID58813739
Molecular FormulaC10H7NY-2
Molecular Weight230.08 g/mol
Exact Mass229.96
IUPAC Name2-phenyl-1,3-dihydropyrrol-3-ide;yttrium
SMILES[Y].[c-]1ccccc1-c1[c-]cc[nH]1
InChIInChI=1S/C10H7N.Y/c1-2-5-9(6-3-1)10-7-4-8-11-10;/h1-5,8,11H;/q-2;
InChIKeyPUFSLKBQDDFIKE-UHFFFAOYSA-N
XLogP2.28
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.08
LogP ≤ 52.28
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 2-phenyl-1,3-dihydropyrrol-3-ide;yttrium?
The IUPAC name of 2-phenyl-1,3-dihydropyrrol-3-ide;yttrium (CID 58813739) is 2-phenyl-1,3-dihydropyrrol-3-ide;yttrium.
What is the SMILES notation for 2-phenyl-1,3-dihydropyrrol-3-ide;yttrium?
The canonical SMILES for 2-phenyl-1,3-dihydropyrrol-3-ide;yttrium is [Y].[c-]1ccccc1-c1[c-]cc[nH]1.
What is the InChIKey of 2-phenyl-1,3-dihydropyrrol-3-ide;yttrium?
The InChIKey is PUFSLKBQDDFIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N.Y/c1-2-5-9(6-3-1)10-7-4-8-11-10;/h1-5,8,11H;/q-2;.
What are the key properties of 2-phenyl-1,3-dihydropyrrol-3-ide;yttrium?
2-phenyl-1,3-dihydropyrrol-3-ide;yttrium has a molecular weight of 230.08 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,3-dihydropyrrol-3-ide;yttrium is sourced from PubChem (CID 58813739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).