1,2,4,5-tetramethyl-3H-pyrrol-3-ide;yttrium

C8H12NY- — CID 58130802

IUPAC1,2,4,5-tetramethyl-3H-pyrrol-3-ide;yttrium
SMILESCc1[c-]c(C)n(C)c1C.[Y]
InChIInChI=1S/C8H12N.Y/c1-6-5-7(2)9(4)8(6)3;/h1-4H3;/q-1;
InChIKeyRPEIKBLKCGUARF-UHFFFAOYSA-N
MW211.10 g/mol
LogP1.75
Rot. Bonds

About 1,2,4,5-tetramethyl-3H-pyrrol-3-ide;yttrium

1,2,4,5-tetramethyl-3H-pyrrol-3-ide;yttrium (PubChem CID 58130802) has the molecular formula C8H12NY- and a molecular weight of 211.10 g/mol. Its IUPAC name is 1,2,4,5-tetramethyl-3H-pyrrol-3-ide;yttrium.

Molecular Properties

Compound Name1,2,4,5-tetramethyl-3H-pyrrol-3-ide;yttrium
PubChem CID58130802
Molecular FormulaC8H12NY-
Molecular Weight211.10 g/mol
Exact Mass211.00
IUPAC Name1,2,4,5-tetramethyl-3H-pyrrol-3-ide;yttrium
SMILESCc1[c-]c(C)n(C)c1C.[Y]
InChIInChI=1S/C8H12N.Y/c1-6-5-7(2)9(4)8(6)3;/h1-4H3;/q-1;
InChIKeyRPEIKBLKCGUARF-UHFFFAOYSA-N
XLogP1.75
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.10
LogP ≤ 51.75
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 1,2,4,5-tetramethyl-3H-pyrrol-3-ide;yttrium?
The IUPAC name of 1,2,4,5-tetramethyl-3H-pyrrol-3-ide;yttrium (CID 58130802) is 1,2,4,5-tetramethyl-3H-pyrrol-3-ide;yttrium.
What is the SMILES notation for 1,2,4,5-tetramethyl-3H-pyrrol-3-ide;yttrium?
The canonical SMILES for 1,2,4,5-tetramethyl-3H-pyrrol-3-ide;yttrium is Cc1[c-]c(C)n(C)c1C.[Y].
What is the InChIKey of 1,2,4,5-tetramethyl-3H-pyrrol-3-ide;yttrium?
The InChIKey is RPEIKBLKCGUARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N.Y/c1-6-5-7(2)9(4)8(6)3;/h1-4H3;/q-1;.
What are the key properties of 1,2,4,5-tetramethyl-3H-pyrrol-3-ide;yttrium?
1,2,4,5-tetramethyl-3H-pyrrol-3-ide;yttrium has a molecular weight of 211.10 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetramethyl-3H-pyrrol-3-ide;yttrium is sourced from PubChem (CID 58130802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).