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

C17H27NO3Si — CID 87332246

IUPAC4-prop-2-enyl-1a-triethylsilyl-2a,5a,6,6a-tetrahydro-2H-oxireno[2,3-f]isoindole-3,5-dione
SMILESC=CCN1C(=O)C2CC3OC3([Si](CC)(CC)CC)CC2C1=O
InChIInChI=1S/C17H27NO3Si/c1-5-9-18-15(19)12-10-14-17(21-14,11-13(12)16(18)20)22(6-2,7-3)8-4/h5,12-14H,1,6-11H2,2-4H3
InChIKeyZDEYSBGGFALHTP-UHFFFAOYSA-N
MW321.49 g/mol
LogP2.75
Rot. Bonds6

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

4-prop-2-enyl-1a-triethylsilyl-2a,5a,6,6a-tetrahydro-2H-oxireno[2,3-f]isoindole-3,5-dione (PubChem CID 87332246) has the molecular formula C17H27NO3Si and a molecular weight of 321.49 g/mol. Its IUPAC name is 4-prop-2-enyl-1a-triethylsilyl-2a,5a,6,6a-tetrahydro-2H-oxireno[2,3-f]isoindole-3,5-dione.

Molecular Properties

Compound Name4-prop-2-enyl-1a-triethylsilyl-2a,5a,6,6a-tetrahydro-2H-oxireno[2,3-f]isoindole-3,5-dione
PubChem CID87332246
Molecular FormulaC17H27NO3Si
Molecular Weight321.49 g/mol
Exact Mass321.18
IUPAC Name4-prop-2-enyl-1a-triethylsilyl-2a,5a,6,6a-tetrahydro-2H-oxireno[2,3-f]isoindole-3,5-dione
SMILESC=CCN1C(=O)C2CC3OC3([Si](CC)(CC)CC)CC2C1=O
InChIInChI=1S/C17H27NO3Si/c1-5-9-18-15(19)12-10-14-17(21-14,11-13(12)16(18)20)22(6-2,7-3)8-4/h5,12-14H,1,6-11H2,2-4H3
InChIKeyZDEYSBGGFALHTP-UHFFFAOYSA-N
XLogP2.75
TPSA49.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 52.75
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'}

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Related Compounds

4-Ethyl-1a,2,2a,5a,6,6a-hexahydrooxireno[2,3-f]isoindole-3,5-dione
CID 20569169
(1aR,2aR,5aS,6aS)-4-ethyl-1a,2,2a,5a,6,6a-hexahydrooxireno[2,3-f]isoindole-3,5-dione
CID 101788562
(1aS,2aR,5aS,6aR)-4-ethyl-1a,2,2a,5a,6,6a-hexahydrooxireno[2,3-f]isoindole-3,5-dione
CID 101788567
(1aS,6aR)-4-ethyl-1a,2,2a,5a,6,6a-hexahydrooxireno[2,3-f]isoindole-3,5-dione
CID 134835342
4-Butyl-1a,2,2a,5a,6,6a-hexahydrooxireno[2,3-f]isoindole-3,5-dione
CID 14228067
(1aS,2aS,5aR,6aR)-4-prop-2-enyl-1a,2,2a,5a,6,6a-hexahydrooxireno[2,3-f]isoindole-3,5-dione
CID 24996682
4,5-epoxy-N-allylcyclohexane-1,2-dicarboximide
CID 25242208
4-[3-[Dimethoxy(methyl)silyl]propyl]-1a,2,2a,5a,6,6a-hexahydrooxireno[2,3-f]isoindole-3,5-dione
CID 59439497
4-(3-Triethoxysilylpropyl)-1a,2,2a,5a,6,6a-hexahydrooxireno[2,3-f]isoindole-3,5-dione
CID 59439499
4-prop-2-enyl-1a-trimethylsilyl-2a,5a,6,6a-tetrahydro-2H-oxireno[2,3-f]isoindole-3,5-dione
CID 87332133
1a-ethyl-4-prop-2-enyl-2a,5a,6,6a-tetrahydro-2H-oxireno[2,3-f]isoindole-3,5-dione
CID 87332150
4-Prop-2-enyl-2-triethylsilyl-1a,2,2a,5a,6,6a-hexahydrooxireno[2,3-f]isoindole-3,5-dione
CID 87332151

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enyl-1a-triethylsilyl-2a,5a,6,6a-tetrahydro-2H-oxireno[2,3-f]isoindole-3,5-dione?
The IUPAC name of 4-prop-2-enyl-1a-triethylsilyl-2a,5a,6,6a-tetrahydro-2H-oxireno[2,3-f]isoindole-3,5-dione (CID 87332246) is 4-prop-2-enyl-1a-triethylsilyl-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-triethylsilyl-2a,5a,6,6a-tetrahydro-2H-oxireno[2,3-f]isoindole-3,5-dione?
The canonical SMILES for 4-prop-2-enyl-1a-triethylsilyl-2a,5a,6,6a-tetrahydro-2H-oxireno[2,3-f]isoindole-3,5-dione is C=CCN1C(=O)C2CC3OC3([Si](CC)(CC)CC)CC2C1=O.
What is the InChIKey of 4-prop-2-enyl-1a-triethylsilyl-2a,5a,6,6a-tetrahydro-2H-oxireno[2,3-f]isoindole-3,5-dione?
The InChIKey is ZDEYSBGGFALHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3Si/c1-5-9-18-15(19)12-10-14-17(21-14,11-13(12)16(18)20)22(6-2,7-3)8-4/h5,12-14H,1,6-11H2,2-4H3.
What are the key properties of 4-prop-2-enyl-1a-triethylsilyl-2a,5a,6,6a-tetrahydro-2H-oxireno[2,3-f]isoindole-3,5-dione?
4-prop-2-enyl-1a-triethylsilyl-2a,5a,6,6a-tetrahydro-2H-oxireno[2,3-f]isoindole-3,5-dione has a molecular weight of 321.49 g/mol, XLogP of 2.75, 6 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-triethylsilyl-2a,5a,6,6a-tetrahydro-2H-oxireno[2,3-f]isoindole-3,5-dione is sourced from PubChem (CID 87332246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).