1-[2-(trimethylsilylmethyl)prop-2-enyl]pyrrole-2,5-dione

C11H17NO2Si — CID 10489291

IUPAC1-[2-(trimethylsilylmethyl)prop-2-enyl]pyrrole-2,5-dione
SMILESC=C(CN1C(=O)C=CC1=O)C[Si](C)(C)C
InChIInChI=1S/C11H17NO2Si/c1-9(8-15(2,3)4)7-12-10(13)5-6-11(12)14/h5-6H,1,7-8H2,2-4H3
InChIKeyJDPDDGXSZXXDLW-UHFFFAOYSA-N
MW223.35 g/mol
LogP1.81
Rot. Bonds4

About 1-[2-(trimethylsilylmethyl)prop-2-enyl]pyrrole-2,5-dione

1-[2-(trimethylsilylmethyl)prop-2-enyl]pyrrole-2,5-dione (PubChem CID 10489291) has the molecular formula C11H17NO2Si and a molecular weight of 223.35 g/mol. Its IUPAC name is 1-[2-(trimethylsilylmethyl)prop-2-enyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-(trimethylsilylmethyl)prop-2-enyl]pyrrole-2,5-dione
PubChem CID10489291
Molecular FormulaC11H17NO2Si
Molecular Weight223.35 g/mol
Exact Mass223.10
IUPAC Name1-[2-(trimethylsilylmethyl)prop-2-enyl]pyrrole-2,5-dione
SMILESC=C(CN1C(=O)C=CC1=O)C[Si](C)(C)C
InChIInChI=1S/C11H17NO2Si/c1-9(8-15(2,3)4)7-12-10(13)5-6-11(12)14/h5-6H,1,7-8H2,2-4H3
InChIKeyJDPDDGXSZXXDLW-UHFFFAOYSA-N
XLogP1.81
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.35
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(trimethylsilylmethyl)prop-2-enyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-(trimethylsilylmethyl)prop-2-enyl]pyrrole-2,5-dione (CID 10489291) is 1-[2-(trimethylsilylmethyl)prop-2-enyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-(trimethylsilylmethyl)prop-2-enyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-(trimethylsilylmethyl)prop-2-enyl]pyrrole-2,5-dione is C=C(CN1C(=O)C=CC1=O)C[Si](C)(C)C.
What is the InChIKey of 1-[2-(trimethylsilylmethyl)prop-2-enyl]pyrrole-2,5-dione?
The InChIKey is JDPDDGXSZXXDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2Si/c1-9(8-15(2,3)4)7-12-10(13)5-6-11(12)14/h5-6H,1,7-8H2,2-4H3.
What are the key properties of 1-[2-(trimethylsilylmethyl)prop-2-enyl]pyrrole-2,5-dione?
1-[2-(trimethylsilylmethyl)prop-2-enyl]pyrrole-2,5-dione has a molecular weight of 223.35 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trimethylsilylmethyl)prop-2-enyl]pyrrole-2,5-dione is sourced from PubChem (CID 10489291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).