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

C11H13NRu — CID 87477496

IUPAC1,2-dihydropyrrol-2-ide;2-ethylcyclopenta-1,3-diene;ruthenium(2+)
SMILESCCC1=[C-]CC=C1.[Ru+2].[c-]1ccc[nH]1
InChIInChI=1S/C7H9.C4H4N.Ru/c1-2-7-5-3-4-6-7;1-2-4-5-3-1;/h3,5H,2,4H2,1H3;1-3,5H;/q2*-1;+2
InChIKeyQOGSIQNQKKLXII-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.90
Rot. Bonds1

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

1,2-dihydropyrrol-2-ide;2-ethylcyclopenta-1,3-diene;ruthenium(2+) (PubChem CID 87477496) has the molecular formula C11H13NRu and a molecular weight of 260.30 g/mol. Its IUPAC name is 1,2-dihydropyrrol-2-ide;2-ethylcyclopenta-1,3-diene;ruthenium(2+).

Molecular Properties

Compound Name1,2-dihydropyrrol-2-ide;2-ethylcyclopenta-1,3-diene;ruthenium(2+)
PubChem CID87477496
Molecular FormulaC11H13NRu
Molecular Weight260.30 g/mol
Exact Mass261.01
IUPAC Name1,2-dihydropyrrol-2-ide;2-ethylcyclopenta-1,3-diene;ruthenium(2+)
SMILESCCC1=[C-]CC=C1.[Ru+2].[c-]1ccc[nH]1
InChIInChI=1S/C7H9.C4H4N.Ru/c1-2-7-5-3-4-6-7;1-2-4-5-3-1;/h3,5H,2,4H2,1H3;1-3,5H;/q2*-1;+2
InChIKeyQOGSIQNQKKLXII-UHFFFAOYSA-N
XLogP2.90
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.90
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 1,2-dihydropyrrol-2-ide;2-ethylcyclopenta-1,3-diene;ruthenium(2+)?
The IUPAC name of 1,2-dihydropyrrol-2-ide;2-ethylcyclopenta-1,3-diene;ruthenium(2+) (CID 87477496) is 1,2-dihydropyrrol-2-ide;2-ethylcyclopenta-1,3-diene;ruthenium(2+).
What is the SMILES notation for 1,2-dihydropyrrol-2-ide;2-ethylcyclopenta-1,3-diene;ruthenium(2+)?
The canonical SMILES for 1,2-dihydropyrrol-2-ide;2-ethylcyclopenta-1,3-diene;ruthenium(2+) is CCC1=[C-]CC=C1.[Ru+2].[c-]1ccc[nH]1.
What is the InChIKey of 1,2-dihydropyrrol-2-ide;2-ethylcyclopenta-1,3-diene;ruthenium(2+)?
The InChIKey is QOGSIQNQKKLXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9.C4H4N.Ru/c1-2-7-5-3-4-6-7;1-2-4-5-3-1;/h3,5H,2,4H2,1H3;1-3,5H;/q2*-1;+2.
What are the key properties of 1,2-dihydropyrrol-2-ide;2-ethylcyclopenta-1,3-diene;ruthenium(2+)?
1,2-dihydropyrrol-2-ide;2-ethylcyclopenta-1,3-diene;ruthenium(2+) has a molecular weight of 260.30 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydropyrrol-2-ide;2-ethylcyclopenta-1,3-diene;ruthenium(2+) is sourced from PubChem (CID 87477496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).