carbon monoxide;iron;1-(4-methylphenyl)sulfonyl-4,6-bis(trimethylsilyl)-2,3-dihydrocyclopenta[b]pyrrol-5-one

C23H29FeNO6SSi2 — CID 134886563

IUPACcarbon monoxide;iron;1-(4-methylphenyl)sulfonyl-4,6-bis(trimethylsilyl)-2,3-dihydrocyclopenta[b]pyrrol-5-one
SMILESCc1ccc(S(=O)(=O)N2CCC3=C([Si](C)(C)C)C(=O)C([Si](C)(C)C)=C32)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]
InChIInChI=1S/C20H29NO3SSi2.3CO.Fe/c1-14-8-10-15(11-9-14)25(23,24)21-13-12-16-17(21)20(27(5,6)7)18(22)19(16)26(2,3)4;3*1-2;/h8-11H,12-13H2,1-7H3;;;;
InChIKeyRXCJUYRAZQTAPF-UHFFFAOYSA-N
MW559.57 g/mol
LogP4.16
Rot. Bonds4

About carbon monoxide;iron;1-(4-methylphenyl)sulfonyl-4,6-bis(trimethylsilyl)-2,3-dihydrocyclopenta[b]pyrrol-5-one

carbon monoxide;iron;1-(4-methylphenyl)sulfonyl-4,6-bis(trimethylsilyl)-2,3-dihydrocyclopenta[b]pyrrol-5-one (PubChem CID 134886563) has the molecular formula C23H29FeNO6SSi2 and a molecular weight of 559.57 g/mol. Its IUPAC name is carbon monoxide;iron;1-(4-methylphenyl)sulfonyl-4,6-bis(trimethylsilyl)-2,3-dihydrocyclopenta[b]pyrrol-5-one.

Molecular Properties

Compound Namecarbon monoxide;iron;1-(4-methylphenyl)sulfonyl-4,6-bis(trimethylsilyl)-2,3-dihydrocyclopenta[b]pyrrol-5-one
PubChem CID134886563
Molecular FormulaC23H29FeNO6SSi2
Molecular Weight559.57 g/mol
Exact Mass559.06
IUPAC Namecarbon monoxide;iron;1-(4-methylphenyl)sulfonyl-4,6-bis(trimethylsilyl)-2,3-dihydrocyclopenta[b]pyrrol-5-one
SMILESCc1ccc(S(=O)(=O)N2CCC3=C([Si](C)(C)C)C(=O)C([Si](C)(C)C)=C32)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]
InChIInChI=1S/C20H29NO3SSi2.3CO.Fe/c1-14-8-10-15(11-9-14)25(23,24)21-13-12-16-17(21)20(27(5,6)7)18(22)19(16)26(2,3)4;3*1-2;/h8-11H,12-13H2,1-7H3;;;;
InChIKeyRXCJUYRAZQTAPF-UHFFFAOYSA-N
XLogP4.16
TPSA114.15 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.57
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

2-(4-Methylphenyl)sulfonyl-4,6-bis[tri(propan-2-yl)silyl]-1,3-dihydrocyclopenta[c]pyrrol-5-one
CID 71603285
CID 11827690
CID 11827690
1-(4-Methylphenyl)sulfonyl-4,6-bis(trimethylsilyl)-2,3-dihydrocyclopenta[b]pyrrol-5-one
CID 11827691
1-(4-methylphenyl)sulfonyl-5,7-bis(trimethylsilyl)-3,4-dihydro-2H-cyclopenta[b]pyridin-6-one
CID 15448232
1-(4-Methylphenyl)sulfonyl-6,8-bis(trimethylsilyl)-2,3,4,5-tetrahydrocyclopenta[b]azepin-7-one
CID 15448239
2-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-triethylsilylethenone
CID 100985225
1-(4-Methylphenyl)sulfonyl-4-trimethylsilyl-2,3-dihydrocyclopenta[b]pyrrol-5-one
CID 101058095
CID 134884897
CID 134884897
carbon monoxide;iron;1-(4-methylphenyl)sulfonyl-5,7-bis(trimethylsilyl)-3,4-dihydro-2H-cyclopenta[b]pyridin-6-one
CID 134886632
Carbon monoxide;iron;1-(4-methylphenyl)sulfonyl-6,8-bis(trimethylsilyl)-2,3,4,5-tetrahydrocyclopenta[b]azepin-7-one
CID 134886710
4-[Ethenyl(dimethyl)silyl]-2-(4-methylphenyl)sulfonyl-1,3,6,6a-tetrahydrocyclopenta[c]pyrrol-5-one
CID 10642353
2-(4-Methylphenyl)sulfonyl-4-trimethylsilyl-1,3,6,6a-tetrahydrocyclopenta[c]pyrrol-5-one
CID 10736556

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;iron;1-(4-methylphenyl)sulfonyl-4,6-bis(trimethylsilyl)-2,3-dihydrocyclopenta[b]pyrrol-5-one?
The IUPAC name of carbon monoxide;iron;1-(4-methylphenyl)sulfonyl-4,6-bis(trimethylsilyl)-2,3-dihydrocyclopenta[b]pyrrol-5-one (CID 134886563) is carbon monoxide;iron;1-(4-methylphenyl)sulfonyl-4,6-bis(trimethylsilyl)-2,3-dihydrocyclopenta[b]pyrrol-5-one.
What is the SMILES notation for carbon monoxide;iron;1-(4-methylphenyl)sulfonyl-4,6-bis(trimethylsilyl)-2,3-dihydrocyclopenta[b]pyrrol-5-one?
The canonical SMILES for carbon monoxide;iron;1-(4-methylphenyl)sulfonyl-4,6-bis(trimethylsilyl)-2,3-dihydrocyclopenta[b]pyrrol-5-one is Cc1ccc(S(=O)(=O)N2CCC3=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-4,6-bis(trimethylsilyl)-2,3-dihydrocyclopenta[b]pyrrol-5-one?
The InChIKey is RXCJUYRAZQTAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO3SSi2.3CO.Fe/c1-14-8-10-15(11-9-14)25(23,24)21-13-12-16-17(21)20(27(5,6)7)18(22)19(16)26(2,3)4;3*1-2;/h8-11H,12-13H2,1-7H3;;;;.
What are the key properties of carbon monoxide;iron;1-(4-methylphenyl)sulfonyl-4,6-bis(trimethylsilyl)-2,3-dihydrocyclopenta[b]pyrrol-5-one?
carbon monoxide;iron;1-(4-methylphenyl)sulfonyl-4,6-bis(trimethylsilyl)-2,3-dihydrocyclopenta[b]pyrrol-5-one has a molecular weight of 559.57 g/mol, XLogP of 4.16, 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-4,6-bis(trimethylsilyl)-2,3-dihydrocyclopenta[b]pyrrol-5-one is sourced from PubChem (CID 134886563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).