1-(1-trimethylsilylethyl)pyrrole-2,5-dione

C9H15NO2Si — CID 67677734

IUPAC1-(1-trimethylsilylethyl)pyrrole-2,5-dione
SMILESCC(N1C(=O)C=CC1=O)[Si](C)(C)C
InChIInChI=1S/C9H15NO2Si/c1-7(13(2,3)4)10-8(11)5-6-9(10)12/h5-7H,1-4H3
InChIKeyQKPKAPIGJGNQOW-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.18
Rot. Bonds2

About 1-(1-trimethylsilylethyl)pyrrole-2,5-dione

1-(1-trimethylsilylethyl)pyrrole-2,5-dione (PubChem CID 67677734) has the molecular formula C9H15NO2Si and a molecular weight of 197.31 g/mol. Its IUPAC name is 1-(1-trimethylsilylethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(1-trimethylsilylethyl)pyrrole-2,5-dione
PubChem CID67677734
Molecular FormulaC9H15NO2Si
Molecular Weight197.31 g/mol
Exact Mass197.09
IUPAC Name1-(1-trimethylsilylethyl)pyrrole-2,5-dione
SMILESCC(N1C(=O)C=CC1=O)[Si](C)(C)C
InChIInChI=1S/C9H15NO2Si/c1-7(13(2,3)4)10-8(11)5-6-9(10)12/h5-7H,1-4H3
InChIKeyQKPKAPIGJGNQOW-UHFFFAOYSA-N
XLogP1.18
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-(3-oxobutan-2-yl)pyrrole-2,5-dione
CID 176999614
1-(2,5-dioxopyrrol-1-yl)ethylphosphonic acid
CID 67705894
1-[(1R)-1-cyclopropylethyl]pyrrole-2,5-dione
CID 51703961
1-[1-[4-[1-(2,5-dioxopyrrol-1-yl)ethyl]-1,4-diazoniabicyclo[2.2.2]octan-1-yl]ethyl]pyrrole-2,5-dione
CID 69493446
1-[(2S,4Z,6Z)-3-methylocta-4,6-dien-2-yl]pyrrole-2,5-dione
CID 163843994
1-(5-hydroxyhexan-2-yl)pyrrole-2,5-dione
CID 67068197
3-(2,5-dioxopyrrol-1-yl)-2,2-dimethylbutanoic acid
CID 130388683
1-(4-methoxybutan-2-yl)pyrrole-2,5-dione
CID 64606099
2-(2,5-dioxopyrrol-1-yl)-4-methyl-3-oxopentanoic acid
CID 152668758
1-heptan-2-ylpyrrole-2,5-dione
CID 22388775
1-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2,5-dione
CID 61250629
1-[1-(2,4-dichlorophenyl)ethyl]pyrrole-2,5-dione
CID 43198816

Frequently Asked Questions

What is the IUPAC name of 1-(1-trimethylsilylethyl)pyrrole-2,5-dione?
The IUPAC name of 1-(1-trimethylsilylethyl)pyrrole-2,5-dione (CID 67677734) is 1-(1-trimethylsilylethyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(1-trimethylsilylethyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(1-trimethylsilylethyl)pyrrole-2,5-dione is CC(N1C(=O)C=CC1=O)[Si](C)(C)C.
What is the InChIKey of 1-(1-trimethylsilylethyl)pyrrole-2,5-dione?
The InChIKey is QKPKAPIGJGNQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2Si/c1-7(13(2,3)4)10-8(11)5-6-9(10)12/h5-7H,1-4H3.
What are the key properties of 1-(1-trimethylsilylethyl)pyrrole-2,5-dione?
1-(1-trimethylsilylethyl)pyrrole-2,5-dione has a molecular weight of 197.31 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-trimethylsilylethyl)pyrrole-2,5-dione is sourced from PubChem (CID 67677734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).