5-tert-butyl-1,2-dihydropyrrol-2-ide;yttrium

C8H12NY- — CID 59698765

IUPAC5-tert-butyl-1,2-dihydropyrrol-2-ide;yttrium
SMILESCC(C)(C)c1cc[c-][nH]1.[Y]
InChIInChI=1S/C8H12N.Y/c1-8(2,3)7-5-4-6-9-7;/h4-5,9H,1-3H3;/q-1;
InChIKeyCMRDZUBZTYSFND-UHFFFAOYSA-N
MW211.10 g/mol
LogP2.11
Rot. Bonds

About 5-tert-butyl-1,2-dihydropyrrol-2-ide;yttrium

5-tert-butyl-1,2-dihydropyrrol-2-ide;yttrium (PubChem CID 59698765) has the molecular formula C8H12NY- and a molecular weight of 211.10 g/mol. Its IUPAC name is 5-tert-butyl-1,2-dihydropyrrol-2-ide;yttrium.

Molecular Properties

Compound Name5-tert-butyl-1,2-dihydropyrrol-2-ide;yttrium
PubChem CID59698765
Molecular FormulaC8H12NY-
Molecular Weight211.10 g/mol
Exact Mass211.00
IUPAC Name5-tert-butyl-1,2-dihydropyrrol-2-ide;yttrium
SMILESCC(C)(C)c1cc[c-][nH]1.[Y]
InChIInChI=1S/C8H12N.Y/c1-8(2,3)7-5-4-6-9-7;/h4-5,9H,1-3H3;/q-1;
InChIKeyCMRDZUBZTYSFND-UHFFFAOYSA-N
XLogP2.11
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.10
LogP ≤ 52.11
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 5-tert-butyl-1,2-dihydropyrrol-2-ide;yttrium?
The IUPAC name of 5-tert-butyl-1,2-dihydropyrrol-2-ide;yttrium (CID 59698765) is 5-tert-butyl-1,2-dihydropyrrol-2-ide;yttrium.
What is the SMILES notation for 5-tert-butyl-1,2-dihydropyrrol-2-ide;yttrium?
The canonical SMILES for 5-tert-butyl-1,2-dihydropyrrol-2-ide;yttrium is CC(C)(C)c1cc[c-][nH]1.[Y].
What is the InChIKey of 5-tert-butyl-1,2-dihydropyrrol-2-ide;yttrium?
The InChIKey is CMRDZUBZTYSFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N.Y/c1-8(2,3)7-5-4-6-9-7;/h4-5,9H,1-3H3;/q-1;.
What are the key properties of 5-tert-butyl-1,2-dihydropyrrol-2-ide;yttrium?
5-tert-butyl-1,2-dihydropyrrol-2-ide;yttrium has a molecular weight of 211.10 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,2-dihydropyrrol-2-ide;yttrium is sourced from PubChem (CID 59698765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).