cyclopenta-1,3-diene;1,3,4,5-tetramethyl-2H-pyrrol-2-ide;zirconium(2+)

C13H17NZr — CID 23210131

IUPACcyclopenta-1,3-diene;1,3,4,5-tetramethyl-2H-pyrrol-2-ide;zirconium(2+)
SMILESCc1[c-]n(C)c(C)c1C.[C-]1=CC=CC1.[Zr+2]
InChIInChI=1S/C8H12N.C5H5.Zr/c1-6-5-9(4)8(3)7(6)2;1-2-4-5-3-1;/h1-4H3;1-3H,4H2;/q2*-1;+2
InChIKeyUXWLSFZGQVZRML-UHFFFAOYSA-N
MW278.51 g/mol
LogP3.05
Rot. Bonds

About cyclopenta-1,3-diene;1,3,4,5-tetramethyl-2H-pyrrol-2-ide;zirconium(2+)

cyclopenta-1,3-diene;1,3,4,5-tetramethyl-2H-pyrrol-2-ide;zirconium(2+) (PubChem CID 23210131) has the molecular formula C13H17NZr and a molecular weight of 278.51 g/mol. Its IUPAC name is cyclopenta-1,3-diene;1,3,4,5-tetramethyl-2H-pyrrol-2-ide;zirconium(2+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;1,3,4,5-tetramethyl-2H-pyrrol-2-ide;zirconium(2+)
PubChem CID23210131
Molecular FormulaC13H17NZr
Molecular Weight278.51 g/mol
Exact Mass277.04
IUPAC Namecyclopenta-1,3-diene;1,3,4,5-tetramethyl-2H-pyrrol-2-ide;zirconium(2+)
SMILESCc1[c-]n(C)c(C)c1C.[C-]1=CC=CC1.[Zr+2]
InChIInChI=1S/C8H12N.C5H5.Zr/c1-6-5-9(4)8(3)7(6)2;1-2-4-5-3-1;/h1-4H3;1-3H,4H2;/q2*-1;+2
InChIKeyUXWLSFZGQVZRML-UHFFFAOYSA-N
XLogP3.05
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.51
LogP ≤ 53.05
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 cyclopenta-1,3-diene;1,3,4,5-tetramethyl-2H-pyrrol-2-ide;zirconium(2+)?
The IUPAC name of cyclopenta-1,3-diene;1,3,4,5-tetramethyl-2H-pyrrol-2-ide;zirconium(2+) (CID 23210131) is cyclopenta-1,3-diene;1,3,4,5-tetramethyl-2H-pyrrol-2-ide;zirconium(2+).
What is the SMILES notation for cyclopenta-1,3-diene;1,3,4,5-tetramethyl-2H-pyrrol-2-ide;zirconium(2+)?
The canonical SMILES for cyclopenta-1,3-diene;1,3,4,5-tetramethyl-2H-pyrrol-2-ide;zirconium(2+) is Cc1[c-]n(C)c(C)c1C.[C-]1=CC=CC1.[Zr+2].
What is the InChIKey of cyclopenta-1,3-diene;1,3,4,5-tetramethyl-2H-pyrrol-2-ide;zirconium(2+)?
The InChIKey is UXWLSFZGQVZRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N.C5H5.Zr/c1-6-5-9(4)8(3)7(6)2;1-2-4-5-3-1;/h1-4H3;1-3H,4H2;/q2*-1;+2.
What are the key properties of cyclopenta-1,3-diene;1,3,4,5-tetramethyl-2H-pyrrol-2-ide;zirconium(2+)?
cyclopenta-1,3-diene;1,3,4,5-tetramethyl-2H-pyrrol-2-ide;zirconium(2+) has a molecular weight of 278.51 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;1,3,4,5-tetramethyl-2H-pyrrol-2-ide;zirconium(2+) is sourced from PubChem (CID 23210131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).