4-prop-2-enyl-1a-trimethylsilyl-2a,5a,6,6a-tetrahydro-2H-oxireno[2,3-f]isoindole-3,5-dione

C14H21NO3Si — CID 87332133

IUPAC4-prop-2-enyl-1a-trimethylsilyl-2a,5a,6,6a-tetrahydro-2H-oxireno[2,3-f]isoindole-3,5-dione
SMILESC=CCN1C(=O)C2CC3OC3([Si](C)(C)C)CC2C1=O
InChIInChI=1S/C14H21NO3Si/c1-5-6-15-12(16)9-7-11-14(18-11,19(2,3)4)8-10(9)13(15)17/h5,9-11H,1,6-8H2,2-4H3
InChIKeyXZYLZNZCNOBDPB-UHFFFAOYSA-N
MW279.41 g/mol
LogP1.58
Rot. Bonds3

About 4-prop-2-enyl-1a-trimethylsilyl-2a,5a,6,6a-tetrahydro-2H-oxireno[2,3-f]isoindole-3,5-dione

4-prop-2-enyl-1a-trimethylsilyl-2a,5a,6,6a-tetrahydro-2H-oxireno[2,3-f]isoindole-3,5-dione (PubChem CID 87332133) has the molecular formula C14H21NO3Si and a molecular weight of 279.41 g/mol. Its IUPAC name is 4-prop-2-enyl-1a-trimethylsilyl-2a,5a,6,6a-tetrahydro-2H-oxireno[2,3-f]isoindole-3,5-dione.

Molecular Properties

Compound Name4-prop-2-enyl-1a-trimethylsilyl-2a,5a,6,6a-tetrahydro-2H-oxireno[2,3-f]isoindole-3,5-dione
PubChem CID87332133
Molecular FormulaC14H21NO3Si
Molecular Weight279.41 g/mol
Exact Mass279.13
IUPAC Name4-prop-2-enyl-1a-trimethylsilyl-2a,5a,6,6a-tetrahydro-2H-oxireno[2,3-f]isoindole-3,5-dione
SMILESC=CCN1C(=O)C2CC3OC3([Si](C)(C)C)CC2C1=O
InChIInChI=1S/C14H21NO3Si/c1-5-6-15-12(16)9-7-11-14(18-11,19(2,3)4)8-10(9)13(15)17/h5,9-11H,1,6-8H2,2-4H3
InChIKeyXZYLZNZCNOBDPB-UHFFFAOYSA-N
XLogP1.58
TPSA49.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 4-prop-2-enyl-1a-trimethylsilyl-2a,5a,6,6a-tetrahydro-2H-oxireno[2,3-f]isoindole-3,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enyl-1a-trimethylsilyl-2a,5a,6,6a-tetrahydro-2H-oxireno[2,3-f]isoindole-3,5-dione?
The IUPAC name of 4-prop-2-enyl-1a-trimethylsilyl-2a,5a,6,6a-tetrahydro-2H-oxireno[2,3-f]isoindole-3,5-dione (CID 87332133) is 4-prop-2-enyl-1a-trimethylsilyl-2a,5a,6,6a-tetrahydro-2H-oxireno[2,3-f]isoindole-3,5-dione.
What is the SMILES notation for 4-prop-2-enyl-1a-trimethylsilyl-2a,5a,6,6a-tetrahydro-2H-oxireno[2,3-f]isoindole-3,5-dione?
The canonical SMILES for 4-prop-2-enyl-1a-trimethylsilyl-2a,5a,6,6a-tetrahydro-2H-oxireno[2,3-f]isoindole-3,5-dione is C=CCN1C(=O)C2CC3OC3([Si](C)(C)C)CC2C1=O.
What is the InChIKey of 4-prop-2-enyl-1a-trimethylsilyl-2a,5a,6,6a-tetrahydro-2H-oxireno[2,3-f]isoindole-3,5-dione?
The InChIKey is XZYLZNZCNOBDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3Si/c1-5-6-15-12(16)9-7-11-14(18-11,19(2,3)4)8-10(9)13(15)17/h5,9-11H,1,6-8H2,2-4H3.
What are the key properties of 4-prop-2-enyl-1a-trimethylsilyl-2a,5a,6,6a-tetrahydro-2H-oxireno[2,3-f]isoindole-3,5-dione?
4-prop-2-enyl-1a-trimethylsilyl-2a,5a,6,6a-tetrahydro-2H-oxireno[2,3-f]isoindole-3,5-dione has a molecular weight of 279.41 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enyl-1a-trimethylsilyl-2a,5a,6,6a-tetrahydro-2H-oxireno[2,3-f]isoindole-3,5-dione is sourced from PubChem (CID 87332133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).