CID 10867863

C7H5O2Ru+ — CID 10867863

IUPAC—
SMILES[C-]#[O+].[C-]#[O+].[CH]1[CH][CH][CH][CH]1.[Ru+]
InChIInChI=1S/C5H5.2CO.Ru/c1-2-4-5-3-1;2*1-2;/h1-5H;;;/q;;;+1
InChIKeySIGRRDAVQRKJGV-UHFFFAOYSA-N
MW222.19 g/mol
LogP0.94
Rot. Bonds

About CID 10867863

CID 10867863 (PubChem CID 10867863) has the molecular formula C7H5O2Ru+ and a molecular weight of 222.19 g/mol.

Molecular Properties

Compound NameCID 10867863
PubChem CID10867863
Molecular FormulaC7H5O2Ru+
Molecular Weight222.19 g/mol
Exact Mass222.93
IUPAC Name—
SMILES[C-]#[O+].[C-]#[O+].[CH]1[CH][CH][CH][CH]1.[Ru+]
InChIInChI=1S/C5H5.2CO.Ru/c1-2-4-5-3-1;2*1-2;/h1-5H;;;/q;;;+1
InChIKeySIGRRDAVQRKJGV-UHFFFAOYSA-N
XLogP0.94
TPSA39.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.19
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 10867863?
The IUPAC name of CID 10867863 (CID 10867863) is not available.
What is the SMILES notation for CID 10867863?
The canonical SMILES for CID 10867863 is [C-]#[O+].[C-]#[O+].[CH]1[CH][CH][CH][CH]1.[Ru+].
What is the InChIKey of CID 10867863?
The InChIKey is SIGRRDAVQRKJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.2CO.Ru/c1-2-4-5-3-1;2*1-2;/h1-5H;;;/q;;;+1.
What are the key properties of CID 10867863?
CID 10867863 has a molecular weight of 222.19 g/mol, XLogP of 0.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10867863 is sourced from PubChem (CID 10867863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).