3,4-bis(2-trimethylsilylethynyl)pyrrole-2,5-dione

C14H19NO2Si2 — CID 57412887

IUPAC3,4-bis(2-trimethylsilylethynyl)pyrrole-2,5-dione
SMILESC[Si](C)(C)C#CC1=C(C#C[Si](C)(C)C)C(=O)NC1=O
InChIInChI=1S/C14H19NO2Si2/c1-18(2,3)9-7-11-12(8-10-19(4,5)6)14(17)15-13(11)16/h1-6H3,(H,15,16,17)
InChIKeySLMUWJBDWWVQGF-UHFFFAOYSA-N
MW289.48 g/mol
LogP1.70
Rot. Bonds

About 3,4-bis(2-trimethylsilylethynyl)pyrrole-2,5-dione

3,4-bis(2-trimethylsilylethynyl)pyrrole-2,5-dione (PubChem CID 57412887) has the molecular formula C14H19NO2Si2 and a molecular weight of 289.48 g/mol. Its IUPAC name is 3,4-bis(2-trimethylsilylethynyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3,4-bis(2-trimethylsilylethynyl)pyrrole-2,5-dione
PubChem CID57412887
Molecular FormulaC14H19NO2Si2
Molecular Weight289.48 g/mol
Exact Mass289.10
IUPAC Name3,4-bis(2-trimethylsilylethynyl)pyrrole-2,5-dione
SMILESC[Si](C)(C)C#CC1=C(C#C[Si](C)(C)C)C(=O)NC1=O
InChIInChI=1S/C14H19NO2Si2/c1-18(2,3)9-7-11-12(8-10-19(4,5)6)14(17)15-13(11)16/h1-6H3,(H,15,16,17)
InChIKeySLMUWJBDWWVQGF-UHFFFAOYSA-N
XLogP1.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.48
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(2-trimethylsilylethynyl)-1H-pyrimidin-2-one
CID 22619750
3-methyl-4-(2-trimethylsilylethynyl)cyclobut-3-ene-1,2-dione
CID 14744353
6-amino-5-(2-trimethylsilylethynyl)-1H-pyrimidin-2-one
CID 156692417
3-(2-trimethylsilylethynyl)-1H-pyridin-2-one
CID 86280140
2,2-dimethyl-6-(2-trimethylsilylethynyl)-3H-1,3-benzoxazin-4-one
CID 10636006
1,7-dimethyl-2,6-bis(2-trimethylsilylethynyl)pyrazolo[1,2-a]pyrazole-3,5-dione
CID 10737009
trimethyl-[2-[2,3,5,6-tetrafluoro-4-(2-trimethylsilylethynyl)phenyl]ethynyl]silane
CID 145191695
9-(2-trimethylsilylethynyl)-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
CID 11345942
4,4-dimethyl-1-[5-(2-trimethylsilylethynyl)pyrimidin-2-yl]imidazolidin-2-one
CID 58464156
(3R,4R)-3-hydroxy-3-methyl-4-(2-trimethylsilylethynyl)azetidin-2-one
CID 15419098
5-(2-trimethylsilylethynyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 151595748
4-ethyl-4-(2-trimethylsilylethynyl)cyclohexan-1-one
CID 131868971

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(2-trimethylsilylethynyl)pyrrole-2,5-dione?
The IUPAC name of 3,4-bis(2-trimethylsilylethynyl)pyrrole-2,5-dione (CID 57412887) is 3,4-bis(2-trimethylsilylethynyl)pyrrole-2,5-dione.
What is the SMILES notation for 3,4-bis(2-trimethylsilylethynyl)pyrrole-2,5-dione?
The canonical SMILES for 3,4-bis(2-trimethylsilylethynyl)pyrrole-2,5-dione is C[Si](C)(C)C#CC1=C(C#C[Si](C)(C)C)C(=O)NC1=O.
What is the InChIKey of 3,4-bis(2-trimethylsilylethynyl)pyrrole-2,5-dione?
The InChIKey is SLMUWJBDWWVQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2Si2/c1-18(2,3)9-7-11-12(8-10-19(4,5)6)14(17)15-13(11)16/h1-6H3,(H,15,16,17).
What are the key properties of 3,4-bis(2-trimethylsilylethynyl)pyrrole-2,5-dione?
3,4-bis(2-trimethylsilylethynyl)pyrrole-2,5-dione has a molecular weight of 289.48 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(2-trimethylsilylethynyl)pyrrole-2,5-dione is sourced from PubChem (CID 57412887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).