2,5-dimethyl-1,3-dihydropyrrol-3-ide;2-ethylcyclopenta-1,3-diene;ruthenium(2+)

C13H17NRu — CID 87323295

IUPAC2,5-dimethyl-1,3-dihydropyrrol-3-ide;2-ethylcyclopenta-1,3-diene;ruthenium(2+)
SMILESCCC1=[C-]CC=C1.Cc1[c-]cc(C)[nH]1.[Ru+2]
InChIInChI=1S/C7H9.C6H8N.Ru/c1-2-7-5-3-4-6-7;1-5-3-4-6(2)7-5;/h3,5H,2,4H2,1H3;3,7H,1-2H3;/q2*-1;+2
InChIKeyOOKRHRDJXOMNBM-UHFFFAOYSA-N
MW288.36 g/mol
LogP3.52
Rot. Bonds1

About 2,5-dimethyl-1,3-dihydropyrrol-3-ide;2-ethylcyclopenta-1,3-diene;ruthenium(2+)

2,5-dimethyl-1,3-dihydropyrrol-3-ide;2-ethylcyclopenta-1,3-diene;ruthenium(2+) (PubChem CID 87323295) has the molecular formula C13H17NRu and a molecular weight of 288.36 g/mol. Its IUPAC name is 2,5-dimethyl-1,3-dihydropyrrol-3-ide;2-ethylcyclopenta-1,3-diene;ruthenium(2+).

Molecular Properties

Compound Name2,5-dimethyl-1,3-dihydropyrrol-3-ide;2-ethylcyclopenta-1,3-diene;ruthenium(2+)
PubChem CID87323295
Molecular FormulaC13H17NRu
Molecular Weight288.36 g/mol
Exact Mass289.04
IUPAC Name2,5-dimethyl-1,3-dihydropyrrol-3-ide;2-ethylcyclopenta-1,3-diene;ruthenium(2+)
SMILESCCC1=[C-]CC=C1.Cc1[c-]cc(C)[nH]1.[Ru+2]
InChIInChI=1S/C7H9.C6H8N.Ru/c1-2-7-5-3-4-6-7;1-5-3-4-6(2)7-5;/h3,5H,2,4H2,1H3;3,7H,1-2H3;/q2*-1;+2
InChIKeyOOKRHRDJXOMNBM-UHFFFAOYSA-N
XLogP3.52
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 53.52
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 2,5-dimethyl-1,3-dihydropyrrol-3-ide;2-ethylcyclopenta-1,3-diene;ruthenium(2+)?
The IUPAC name of 2,5-dimethyl-1,3-dihydropyrrol-3-ide;2-ethylcyclopenta-1,3-diene;ruthenium(2+) (CID 87323295) is 2,5-dimethyl-1,3-dihydropyrrol-3-ide;2-ethylcyclopenta-1,3-diene;ruthenium(2+).
What is the SMILES notation for 2,5-dimethyl-1,3-dihydropyrrol-3-ide;2-ethylcyclopenta-1,3-diene;ruthenium(2+)?
The canonical SMILES for 2,5-dimethyl-1,3-dihydropyrrol-3-ide;2-ethylcyclopenta-1,3-diene;ruthenium(2+) is CCC1=[C-]CC=C1.Cc1[c-]cc(C)[nH]1.[Ru+2].
What is the InChIKey of 2,5-dimethyl-1,3-dihydropyrrol-3-ide;2-ethylcyclopenta-1,3-diene;ruthenium(2+)?
The InChIKey is OOKRHRDJXOMNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9.C6H8N.Ru/c1-2-7-5-3-4-6-7;1-5-3-4-6(2)7-5;/h3,5H,2,4H2,1H3;3,7H,1-2H3;/q2*-1;+2.
What are the key properties of 2,5-dimethyl-1,3-dihydropyrrol-3-ide;2-ethylcyclopenta-1,3-diene;ruthenium(2+)?
2,5-dimethyl-1,3-dihydropyrrol-3-ide;2-ethylcyclopenta-1,3-diene;ruthenium(2+) has a molecular weight of 288.36 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1,3-dihydropyrrol-3-ide;2-ethylcyclopenta-1,3-diene;ruthenium(2+) is sourced from PubChem (CID 87323295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).