2-ethylpyrrol-1-ide;pyrrol-1-ide;ruthenium(2+)

C10H12N2Ru — CID 87512385

IUPAC2-ethylpyrrol-1-ide;pyrrol-1-ide;ruthenium(2+)
SMILESCCc1ccc[n-]1.[Ru+2].c1cc[n-]c1
InChIInChI=1S/C6H8N.C4H4N.Ru/c1-2-6-4-3-5-7-6;1-2-4-5-3-1;/h3-5H,2H2,1H3;1-4H;/q2*-1;+2
InChIKeyCWFMDZGXGRAPOY-UHFFFAOYSA-N
MW261.29 g/mol
LogP1.85
Rot. Bonds1

About 2-ethylpyrrol-1-ide;pyrrol-1-ide;ruthenium(2+)

2-ethylpyrrol-1-ide;pyrrol-1-ide;ruthenium(2+) (PubChem CID 87512385) has the molecular formula C10H12N2Ru and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-ethylpyrrol-1-ide;pyrrol-1-ide;ruthenium(2+).

Molecular Properties

Compound Name2-ethylpyrrol-1-ide;pyrrol-1-ide;ruthenium(2+)
PubChem CID87512385
Molecular FormulaC10H12N2Ru
Molecular Weight261.29 g/mol
Exact Mass262.00
IUPAC Name2-ethylpyrrol-1-ide;pyrrol-1-ide;ruthenium(2+)
SMILESCCc1ccc[n-]1.[Ru+2].c1cc[n-]c1
InChIInChI=1S/C6H8N.C4H4N.Ru/c1-2-6-4-3-5-7-6;1-2-4-5-3-1;/h3-5H,2H2,1H3;1-4H;/q2*-1;+2
InChIKeyCWFMDZGXGRAPOY-UHFFFAOYSA-N
XLogP1.85
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-ethylpyrrol-1-ide;pyrrol-1-ide;ruthenium(2+)?
The IUPAC name of 2-ethylpyrrol-1-ide;pyrrol-1-ide;ruthenium(2+) (CID 87512385) is 2-ethylpyrrol-1-ide;pyrrol-1-ide;ruthenium(2+).
What is the SMILES notation for 2-ethylpyrrol-1-ide;pyrrol-1-ide;ruthenium(2+)?
The canonical SMILES for 2-ethylpyrrol-1-ide;pyrrol-1-ide;ruthenium(2+) is CCc1ccc[n-]1.[Ru+2].c1cc[n-]c1.
What is the InChIKey of 2-ethylpyrrol-1-ide;pyrrol-1-ide;ruthenium(2+)?
The InChIKey is CWFMDZGXGRAPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N.C4H4N.Ru/c1-2-6-4-3-5-7-6;1-2-4-5-3-1;/h3-5H,2H2,1H3;1-4H;/q2*-1;+2.
What are the key properties of 2-ethylpyrrol-1-ide;pyrrol-1-ide;ruthenium(2+)?
2-ethylpyrrol-1-ide;pyrrol-1-ide;ruthenium(2+) has a molecular weight of 261.29 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylpyrrol-1-ide;pyrrol-1-ide;ruthenium(2+) is sourced from PubChem (CID 87512385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).