1-phenylethylideneazanide;ruthenium(1+)

C8H8NRu — CID 59356813

IUPAC1-phenylethylideneazanide;ruthenium(1+)
SMILESCC(=[N-])c1ccccc1.[Ru+]
InChIInChI=1S/C8H8N.Ru/c1-7(9)8-5-3-2-4-6-8;/h2-6H,1H3;/q-1;+1
InChIKeyJSKCXVAXYWXCJD-UHFFFAOYSA-N
MW219.23 g/mol
LogP2.06
Rot. Bonds1

About 1-phenylethylideneazanide;ruthenium(1+)

1-phenylethylideneazanide;ruthenium(1+) (PubChem CID 59356813) has the molecular formula C8H8NRu and a molecular weight of 219.23 g/mol. Its IUPAC name is 1-phenylethylideneazanide;ruthenium(1+).

Molecular Properties

Compound Name1-phenylethylideneazanide;ruthenium(1+)
PubChem CID59356813
Molecular FormulaC8H8NRu
Molecular Weight219.23 g/mol
Exact Mass219.97
IUPAC Name1-phenylethylideneazanide;ruthenium(1+)
SMILESCC(=[N-])c1ccccc1.[Ru+]
InChIInChI=1S/C8H8N.Ru/c1-7(9)8-5-3-2-4-6-8;/h2-6H,1H3;/q-1;+1
InChIKeyJSKCXVAXYWXCJD-UHFFFAOYSA-N
XLogP2.06
TPSA22.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenylethylideneazanide;ruthenium(1+)?
The IUPAC name of 1-phenylethylideneazanide;ruthenium(1+) (CID 59356813) is 1-phenylethylideneazanide;ruthenium(1+).
What is the SMILES notation for 1-phenylethylideneazanide;ruthenium(1+)?
The canonical SMILES for 1-phenylethylideneazanide;ruthenium(1+) is CC(=[N-])c1ccccc1.[Ru+].
What is the InChIKey of 1-phenylethylideneazanide;ruthenium(1+)?
The InChIKey is JSKCXVAXYWXCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N.Ru/c1-7(9)8-5-3-2-4-6-8;/h2-6H,1H3;/q-1;+1.
What are the key properties of 1-phenylethylideneazanide;ruthenium(1+)?
1-phenylethylideneazanide;ruthenium(1+) has a molecular weight of 219.23 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethylideneazanide;ruthenium(1+) is sourced from PubChem (CID 59356813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).