carbon monoxide;1-(4-chlorophenyl)-1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol;bis(cobalt(3+))

C26H20ClCo2NO7+6 — CID 5243492

IUPACcarbon monoxide;1-(4-chlorophenyl)-1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol;bis(cobalt(3+))
SMILESOC(C#CCN1CCCC1)(c1ccccc1)c1ccc(Cl)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co+3].[Co+3]
InChIInChI=1S/C20H20ClNO.6CO.2Co/c21-19-11-9-18(10-12-19)20(23,17-7-2-1-3-8-17)13-6-16-22-14-4-5-15-22;6*1-2;;/h1-3,7-12,23H,4-5,14-16H2;;;;;;;;/q;;;;;;;2*+3
InChIKeyWZAJXKQHZWVMBF-UHFFFAOYSA-N
MW611.77 g/mol
LogP3.45
Rot. Bonds3

About carbon monoxide;1-(4-chlorophenyl)-1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol;bis(cobalt(3+))

carbon monoxide;1-(4-chlorophenyl)-1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol;bis(cobalt(3+)) (PubChem CID 5243492) has the molecular formula C26H20ClCo2NO7+6 and a molecular weight of 611.77 g/mol. Its IUPAC name is carbon monoxide;1-(4-chlorophenyl)-1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol;bis(cobalt(3+)).

Molecular Properties

Compound Namecarbon monoxide;1-(4-chlorophenyl)-1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol;bis(cobalt(3+))
PubChem CID5243492
Molecular FormulaC26H20ClCo2NO7+6
Molecular Weight611.77 g/mol
Exact Mass610.96
IUPAC Namecarbon monoxide;1-(4-chlorophenyl)-1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol;bis(cobalt(3+))
SMILESOC(C#CCN1CCCC1)(c1ccccc1)c1ccc(Cl)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co+3].[Co+3]
InChIInChI=1S/C20H20ClNO.6CO.2Co/c21-19-11-9-18(10-12-19)20(23,17-7-2-1-3-8-17)13-6-16-22-14-4-5-15-22;6*1-2;;/h1-3,7-12,23H,4-5,14-16H2;;;;;;;;/q;;;;;;;2*+3
InChIKeyWZAJXKQHZWVMBF-UHFFFAOYSA-N
XLogP3.45
TPSA142.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500611.77
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;1-(4-chlorophenyl)-1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol;bis(cobalt(3+))?
The IUPAC name of carbon monoxide;1-(4-chlorophenyl)-1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol;bis(cobalt(3+)) (CID 5243492) is carbon monoxide;1-(4-chlorophenyl)-1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol;bis(cobalt(3+)).
What is the SMILES notation for carbon monoxide;1-(4-chlorophenyl)-1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol;bis(cobalt(3+))?
The canonical SMILES for carbon monoxide;1-(4-chlorophenyl)-1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol;bis(cobalt(3+)) is OC(C#CCN1CCCC1)(c1ccccc1)c1ccc(Cl)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co+3].[Co+3].
What is the InChIKey of carbon monoxide;1-(4-chlorophenyl)-1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol;bis(cobalt(3+))?
The InChIKey is WZAJXKQHZWVMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO.6CO.2Co/c21-19-11-9-18(10-12-19)20(23,17-7-2-1-3-8-17)13-6-16-22-14-4-5-15-22;6*1-2;;/h1-3,7-12,23H,4-5,14-16H2;;;;;;;;/q;;;;;;;2*+3.
What are the key properties of carbon monoxide;1-(4-chlorophenyl)-1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol;bis(cobalt(3+))?
carbon monoxide;1-(4-chlorophenyl)-1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol;bis(cobalt(3+)) has a molecular weight of 611.77 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;1-(4-chlorophenyl)-1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol;bis(cobalt(3+)) is sourced from PubChem (CID 5243492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).