dichloro-[[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]methylidene]ruthenium

C12H9Cl2NO4Ru — CID 140580661

IUPACdichloro-[[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]methylidene]ruthenium
SMILESO=C(ON1C(=O)CCC1=O)c1ccc(C=[Ru](Cl)Cl)cc1
InChIInChI=1S/C12H9NO4.2ClH.Ru/c1-8-2-4-9(5-3-8)12(16)17-13-10(14)6-7-11(13)15;;;/h1-5H,6-7H2;2*1H;/q;;;+2/p-2
InChIKeyCHWNZDJQSZBFNM-UHFFFAOYSA-L
MW403.18 g/mol
LogP1.98
Rot. Bonds3

About dichloro-[[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]methylidene]ruthenium

dichloro-[[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]methylidene]ruthenium (PubChem CID 140580661) has the molecular formula C12H9Cl2NO4Ru and a molecular weight of 403.18 g/mol. Its IUPAC name is dichloro-[[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]methylidene]ruthenium.

Molecular Properties

Compound Namedichloro-[[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]methylidene]ruthenium
PubChem CID140580661
Molecular FormulaC12H9Cl2NO4Ru
Molecular Weight403.18 g/mol
Exact Mass402.90
IUPAC Namedichloro-[[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]methylidene]ruthenium
SMILESO=C(ON1C(=O)CCC1=O)c1ccc(C=[Ru](Cl)Cl)cc1
InChIInChI=1S/C12H9NO4.2ClH.Ru/c1-8-2-4-9(5-3-8)12(16)17-13-10(14)6-7-11(13)15;;;/h1-5H,6-7H2;2*1H;/q;;;+2/p-2
InChIKeyCHWNZDJQSZBFNM-UHFFFAOYSA-L
XLogP1.98
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.18
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dichloro-[[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]methylidene]ruthenium?
The IUPAC name of dichloro-[[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]methylidene]ruthenium (CID 140580661) is dichloro-[[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]methylidene]ruthenium.
What is the SMILES notation for dichloro-[[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]methylidene]ruthenium?
The canonical SMILES for dichloro-[[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]methylidene]ruthenium is O=C(ON1C(=O)CCC1=O)c1ccc(C=[Ru](Cl)Cl)cc1.
What is the InChIKey of dichloro-[[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]methylidene]ruthenium?
The InChIKey is CHWNZDJQSZBFNM-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H9NO4.2ClH.Ru/c1-8-2-4-9(5-3-8)12(16)17-13-10(14)6-7-11(13)15;;;/h1-5H,6-7H2;2*1H;/q;;;+2/p-2.
What are the key properties of dichloro-[[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]methylidene]ruthenium?
dichloro-[[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]methylidene]ruthenium has a molecular weight of 403.18 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]methylidene]ruthenium is sourced from PubChem (CID 140580661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).