cyclopenta-1,3-diene;2-methyl-1H-pyrrole;ruthenium

C10H13NRu — CID 174581939

IUPACcyclopenta-1,3-diene;2-methyl-1H-pyrrole;ruthenium
SMILESC1=CCC=C1.Cc1ccc[nH]1.[Ru]
InChIInChI=1S/C5H7N.C5H6.Ru/c1-5-3-2-4-6-5;1-2-4-5-3-1;/h2-4,6H,1H3;1-4H,5H2;
InChIKeyNZYPSYHRJSXBDP-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.82
Rot. Bonds

About cyclopenta-1,3-diene;2-methyl-1H-pyrrole;ruthenium

cyclopenta-1,3-diene;2-methyl-1H-pyrrole;ruthenium (PubChem CID 174581939) has the molecular formula C10H13NRu and a molecular weight of 248.29 g/mol. Its IUPAC name is cyclopenta-1,3-diene;2-methyl-1H-pyrrole;ruthenium.

Molecular Properties

Compound Namecyclopenta-1,3-diene;2-methyl-1H-pyrrole;ruthenium
PubChem CID174581939
Molecular FormulaC10H13NRu
Molecular Weight248.29 g/mol
Exact Mass249.01
IUPAC Namecyclopenta-1,3-diene;2-methyl-1H-pyrrole;ruthenium
SMILESC1=CCC=C1.Cc1ccc[nH]1.[Ru]
InChIInChI=1S/C5H7N.C5H6.Ru/c1-5-3-2-4-6-5;1-2-4-5-3-1;/h2-4,6H,1H3;1-4H,5H2;
InChIKeyNZYPSYHRJSXBDP-UHFFFAOYSA-N
XLogP2.82
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;2-methyl-1H-pyrrole;ruthenium?
The IUPAC name of cyclopenta-1,3-diene;2-methyl-1H-pyrrole;ruthenium (CID 174581939) is cyclopenta-1,3-diene;2-methyl-1H-pyrrole;ruthenium.
What is the SMILES notation for cyclopenta-1,3-diene;2-methyl-1H-pyrrole;ruthenium?
The canonical SMILES for cyclopenta-1,3-diene;2-methyl-1H-pyrrole;ruthenium is C1=CCC=C1.Cc1ccc[nH]1.[Ru].
What is the InChIKey of cyclopenta-1,3-diene;2-methyl-1H-pyrrole;ruthenium?
The InChIKey is NZYPSYHRJSXBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N.C5H6.Ru/c1-5-3-2-4-6-5;1-2-4-5-3-1;/h2-4,6H,1H3;1-4H,5H2;.
What are the key properties of cyclopenta-1,3-diene;2-methyl-1H-pyrrole;ruthenium?
cyclopenta-1,3-diene;2-methyl-1H-pyrrole;ruthenium has a molecular weight of 248.29 g/mol, XLogP of 2.82, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;2-methyl-1H-pyrrole;ruthenium is sourced from PubChem (CID 174581939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).