Carbon monoxide; 1-(4-chlorophenyl)-1-phenyl-4-pyrrolidin-1-yl-butan-1-ol; cobaltiocobalt

C26H22ClCo2NO7 — CID 500313

IUPAC—
SMILESOC([CH][CH]CN1CCCC1)(c1ccccc1)c1ccc(Cl)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]
InChIInChI=1S/C20H22ClNO.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;;/h1-3,6-13,23H,4-5,14-16H2;;;;;;;;
InChIKeyBOUVLJFUZGOOOP-UHFFFAOYSA-N
MW613.78 g/mol
LogP3.85
Rot. Bonds6

About Carbon monoxide; 1-(4-chlorophenyl)-1-phenyl-4-pyrrolidin-1-yl-butan-1-ol; cobaltiocobalt

Carbon monoxide; 1-(4-chlorophenyl)-1-phenyl-4-pyrrolidin-1-yl-butan-1-ol; cobaltiocobalt (PubChem CID 500313) has the molecular formula C26H22ClCo2NO7 and a molecular weight of 613.78 g/mol.

Molecular Properties

Compound NameCarbon monoxide; 1-(4-chlorophenyl)-1-phenyl-4-pyrrolidin-1-yl-butan-1-ol; cobaltiocobalt
PubChem CID500313
Molecular FormulaC26H22ClCo2NO7
Molecular Weight613.78 g/mol
Exact Mass612.97
IUPAC Name—
SMILESOC([CH][CH]CN1CCCC1)(c1ccccc1)c1ccc(Cl)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]
InChIInChI=1S/C20H22ClNO.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;;/h1-3,6-13,23H,4-5,14-16H2;;;;;;;;
InChIKeyBOUVLJFUZGOOOP-UHFFFAOYSA-N
XLogP3.85
TPSA142.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500613.78
LogP ≤ 53.85
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'}

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Frequently Asked Questions

What is the IUPAC name of Carbon monoxide; 1-(4-chlorophenyl)-1-phenyl-4-pyrrolidin-1-yl-butan-1-ol; cobaltiocobalt?
The IUPAC name of Carbon monoxide; 1-(4-chlorophenyl)-1-phenyl-4-pyrrolidin-1-yl-butan-1-ol; cobaltiocobalt (CID 500313) is not available.
What is the SMILES notation for Carbon monoxide; 1-(4-chlorophenyl)-1-phenyl-4-pyrrolidin-1-yl-butan-1-ol; cobaltiocobalt?
The canonical SMILES for Carbon monoxide; 1-(4-chlorophenyl)-1-phenyl-4-pyrrolidin-1-yl-butan-1-ol; cobaltiocobalt is OC([CH][CH]CN1CCCC1)(c1ccccc1)c1ccc(Cl)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co].
What is the InChIKey of Carbon monoxide; 1-(4-chlorophenyl)-1-phenyl-4-pyrrolidin-1-yl-butan-1-ol; cobaltiocobalt?
The InChIKey is BOUVLJFUZGOOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO.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;;/h1-3,6-13,23H,4-5,14-16H2;;;;;;;;.
What are the key properties of Carbon monoxide; 1-(4-chlorophenyl)-1-phenyl-4-pyrrolidin-1-yl-butan-1-ol; cobaltiocobalt?
Carbon monoxide; 1-(4-chlorophenyl)-1-phenyl-4-pyrrolidin-1-yl-butan-1-ol; cobaltiocobalt has a molecular weight of 613.78 g/mol, XLogP of 3.85, 6 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-yl-butan-1-ol; cobaltiocobalt is sourced from PubChem (CID 500313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).