carbon monoxide;iron;1-(4-methylphenyl)sulfonyl-5,7-bis(trimethylsilyl)-3,4-dihydro-2H-cyclopenta[b]pyridin-6-one

C24H31FeNO6SSi2 — CID 134886632

About carbon monoxide;iron;1-(4-methylphenyl)sulfonyl-5,7-bis(trimethylsilyl)-3,4-dihydro-2H-cyclopenta[b]pyridin-6-one

carbon monoxide;iron;1-(4-methylphenyl)sulfonyl-5,7-bis(trimethylsilyl)-3,4-dihydro-2H-cyclopenta[b]pyridin-6-one (PubChem CID 134886632) has the molecular formula C24H31FeNO6SSi2 and a molecular weight of 573.60 g/mol. Its IUPAC name is carbon monoxide;iron;1-(4-methylphenyl)sulfonyl-5,7-bis(trimethylsilyl)-3,4-dihydro-2H-cyclopenta[b]pyridin-6-one.

Molecular Properties

• Compound Name: carbon monoxide;iron;1-(4-methylphenyl)sulfonyl-5,7-bis(trimethylsilyl)-3,4-dihydro-2H-cyclopenta[b]pyridin-6-one
• PubChem CID: 134886632
• Molecular Formula: C24H31FeNO6SSi2
• Molecular Weight: 573.60 g/mol
• Exact Mass: 573.08
• IUPAC Name: carbon monoxide;iron;1-(4-methylphenyl)sulfonyl-5,7-bis(trimethylsilyl)-3,4-dihydro-2H-cyclopenta[b]pyridin-6-one
• SMILES: Cc1ccc(S(=O)(=O)N2CCCC3=C([Si](C)(C)C)C(=O)C([Si](C)(C)C)=C32)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]
• InChI: InChI=1S/C21H31NO3SSi2.3CO.Fe/c1-15-10-12-16(13-11-15)26(24,25)22-14-8-9-17-18(22)21(28(5,6)7)19(23)20(17)27(2,3)4;3*1-2;/h10-13H,8-9,14H2,1-7H3
• InChIKey: ZPULUEQEEYJKSM-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 114.15 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.60
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;iron;1-(4-methylphenyl)sulfonyl-5,7-bis(trimethylsilyl)-3,4-dihydro-2H-cyclopenta[b]pyridin-6-one?

The IUPAC name of carbon monoxide;iron;1-(4-methylphenyl)sulfonyl-5,7-bis(trimethylsilyl)-3,4-dihydro-2H-cyclopenta[b]pyridin-6-one (CID 134886632) is carbon monoxide;iron;1-(4-methylphenyl)sulfonyl-5,7-bis(trimethylsilyl)-3,4-dihydro-2H-cyclopenta[b]pyridin-6-one.

What is the SMILES notation for carbon monoxide;iron;1-(4-methylphenyl)sulfonyl-5,7-bis(trimethylsilyl)-3,4-dihydro-2H-cyclopenta[b]pyridin-6-one?

The canonical SMILES for carbon monoxide;iron;1-(4-methylphenyl)sulfonyl-5,7-bis(trimethylsilyl)-3,4-dihydro-2H-cyclopenta[b]pyridin-6-one is Cc1ccc(S(=O)(=O)N2CCCC3=C([Si](C)(C)C)C(=O)C([Si](C)(C)C)=C32)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].

What is the InChIKey of carbon monoxide;iron;1-(4-methylphenyl)sulfonyl-5,7-bis(trimethylsilyl)-3,4-dihydro-2H-cyclopenta[b]pyridin-6-one?

The InChIKey is ZPULUEQEEYJKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO3SSi2.3CO.Fe/c1-15-10-12-16(13-11-15)26(24,25)22-14-8-9-17-18(22)21(28(5,6)7)19(23)20(17)27(2,3)4;3*1-2;/h10-13H,8-9,14H2,1-7H3;;;;.

What are the key properties of carbon monoxide;iron;1-(4-methylphenyl)sulfonyl-5,7-bis(trimethylsilyl)-3,4-dihydro-2H-cyclopenta[b]pyridin-6-one?

carbon monoxide;iron;1-(4-methylphenyl)sulfonyl-5,7-bis(trimethylsilyl)-3,4-dihydro-2H-cyclopenta[b]pyridin-6-one has a molecular weight of 573.60 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for carbon monoxide;iron;1-(4-methylphenyl)sulfonyl-5,7-bis(trimethylsilyl)-3,4-dihydro-2H-cyclopenta[b]pyridin-6-one is sourced from PubChem (CID 134886632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).