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

C15H22NRu — CID 87322645

IUPACcyclopenta-1,3-diene;ethane;ruthenium(3+);1,3,4,5-tetramethyl-2H-pyrrol-2-ide
SMILESCc1[c-]n(C)c(C)c1C.[C-]1=CC=CC1.[CH2-]C.[Ru+3]
InChIInChI=1S/C8H12N.C5H5.C2H5.Ru/c1-6-5-9(4)8(3)7(6)2;1-2-4-5-3-1;1-2;/h1-4H3;1-3H,4H2;1H2,2H3;/q3*-1;+3
InChIKeyATUQYVCEISAPFN-UHFFFAOYSA-N
MW317.42 g/mol
LogP3.89
Rot. Bonds

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

cyclopenta-1,3-diene;ethane;ruthenium(3+);1,3,4,5-tetramethyl-2H-pyrrol-2-ide (PubChem CID 87322645) has the molecular formula C15H22NRu and a molecular weight of 317.42 g/mol. Its IUPAC name is cyclopenta-1,3-diene;ethane;ruthenium(3+);1,3,4,5-tetramethyl-2H-pyrrol-2-ide.

Molecular Properties

Compound Namecyclopenta-1,3-diene;ethane;ruthenium(3+);1,3,4,5-tetramethyl-2H-pyrrol-2-ide
PubChem CID87322645
Molecular FormulaC15H22NRu
Molecular Weight317.42 g/mol
Exact Mass318.08
IUPAC Namecyclopenta-1,3-diene;ethane;ruthenium(3+);1,3,4,5-tetramethyl-2H-pyrrol-2-ide
SMILESCc1[c-]n(C)c(C)c1C.[C-]1=CC=CC1.[CH2-]C.[Ru+3]
InChIInChI=1S/C8H12N.C5H5.C2H5.Ru/c1-6-5-9(4)8(3)7(6)2;1-2-4-5-3-1;1-2;/h1-4H3;1-3H,4H2;1H2,2H3;/q3*-1;+3
InChIKeyATUQYVCEISAPFN-UHFFFAOYSA-N
XLogP3.89
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 53.89
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;ethane;ruthenium(3+);1,3,4,5-tetramethyl-2H-pyrrol-2-ide?
The IUPAC name of cyclopenta-1,3-diene;ethane;ruthenium(3+);1,3,4,5-tetramethyl-2H-pyrrol-2-ide (CID 87322645) is cyclopenta-1,3-diene;ethane;ruthenium(3+);1,3,4,5-tetramethyl-2H-pyrrol-2-ide.
What is the SMILES notation for cyclopenta-1,3-diene;ethane;ruthenium(3+);1,3,4,5-tetramethyl-2H-pyrrol-2-ide?
The canonical SMILES for cyclopenta-1,3-diene;ethane;ruthenium(3+);1,3,4,5-tetramethyl-2H-pyrrol-2-ide is Cc1[c-]n(C)c(C)c1C.[C-]1=CC=CC1.[CH2-]C.[Ru+3].
What is the InChIKey of cyclopenta-1,3-diene;ethane;ruthenium(3+);1,3,4,5-tetramethyl-2H-pyrrol-2-ide?
The InChIKey is ATUQYVCEISAPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N.C5H5.C2H5.Ru/c1-6-5-9(4)8(3)7(6)2;1-2-4-5-3-1;1-2;/h1-4H3;1-3H,4H2;1H2,2H3;/q3*-1;+3.
What are the key properties of cyclopenta-1,3-diene;ethane;ruthenium(3+);1,3,4,5-tetramethyl-2H-pyrrol-2-ide?
cyclopenta-1,3-diene;ethane;ruthenium(3+);1,3,4,5-tetramethyl-2H-pyrrol-2-ide has a molecular weight of 317.42 g/mol, XLogP of 3.89, 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;ethane;ruthenium(3+);1,3,4,5-tetramethyl-2H-pyrrol-2-ide is sourced from PubChem (CID 87322645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).