2-prop-2-enyl-5-trimethylsilyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione

C14H21NO2Si — CID 67270012

IUPAC2-prop-2-enyl-5-trimethylsilyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
SMILESC=CCN1C(=O)C2CC=C([Si](C)(C)C)CC2C1=O
InChIInChI=1S/C14H21NO2Si/c1-5-8-15-13(16)11-7-6-10(18(2,3)4)9-12(11)14(15)17/h5-6,11-12H,1,7-9H2,2-4H3
InChIKeyZWMVVWQVEIMGJR-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.37
Rot. Bonds3

About 2-prop-2-enyl-5-trimethylsilyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione

2-prop-2-enyl-5-trimethylsilyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione (PubChem CID 67270012) has the molecular formula C14H21NO2Si and a molecular weight of 263.41 g/mol. Its IUPAC name is 2-prop-2-enyl-5-trimethylsilyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione.

Molecular Properties

Compound Name2-prop-2-enyl-5-trimethylsilyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
PubChem CID67270012
Molecular FormulaC14H21NO2Si
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name2-prop-2-enyl-5-trimethylsilyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
SMILESC=CCN1C(=O)C2CC=C([Si](C)(C)C)CC2C1=O
InChIInChI=1S/C14H21NO2Si/c1-5-8-15-13(16)11-7-6-10(18(2,3)4)9-12(11)14(15)17/h5-6,11-12H,1,7-9H2,2-4H3
InChIKeyZWMVVWQVEIMGJR-UHFFFAOYSA-N
XLogP2.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.37
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'}

Analyze 2-prop-2-enyl-5-trimethylsilyl-3a,4,7,7a-tetrahydroisoindole-1,3-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 2-prop-2-enyl-5-trimethylsilyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
The IUPAC name of 2-prop-2-enyl-5-trimethylsilyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione (CID 67270012) is 2-prop-2-enyl-5-trimethylsilyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione.
What is the SMILES notation for 2-prop-2-enyl-5-trimethylsilyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
The canonical SMILES for 2-prop-2-enyl-5-trimethylsilyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione is C=CCN1C(=O)C2CC=C([Si](C)(C)C)CC2C1=O.
What is the InChIKey of 2-prop-2-enyl-5-trimethylsilyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
The InChIKey is ZWMVVWQVEIMGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2Si/c1-5-8-15-13(16)11-7-6-10(18(2,3)4)9-12(11)14(15)17/h5-6,11-12H,1,7-9H2,2-4H3.
What are the key properties of 2-prop-2-enyl-5-trimethylsilyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
2-prop-2-enyl-5-trimethylsilyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione has a molecular weight of 263.41 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-5-trimethylsilyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione is sourced from PubChem (CID 67270012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).