4-ethyl-8-propan-2-ylsilyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

C14H23NO2Si — CID 123985529

IUPAC4-ethyl-8-propan-2-ylsilyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESCCN1C(=O)C2C3CC([SiH2]C(C)C)C(C3)C2C1=O
InChIInChI=1S/C14H23NO2Si/c1-4-15-13(16)11-8-5-9(12(11)14(15)17)10(6-8)18-7(2)3/h7-12H,4-6,18H2,1-3H3
InChIKeyIDWZTRDVAKAWQF-UHFFFAOYSA-N
MW265.43 g/mol
LogP1.43
Rot. Bonds3

About 4-ethyl-8-propan-2-ylsilyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

4-ethyl-8-propan-2-ylsilyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione (PubChem CID 123985529) has the molecular formula C14H23NO2Si and a molecular weight of 265.43 g/mol. Its IUPAC name is 4-ethyl-8-propan-2-ylsilyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.

Molecular Properties

Compound Name4-ethyl-8-propan-2-ylsilyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
PubChem CID123985529
Molecular FormulaC14H23NO2Si
Molecular Weight265.43 g/mol
Exact Mass265.15
IUPAC Name4-ethyl-8-propan-2-ylsilyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESCCN1C(=O)C2C3CC([SiH2]C(C)C)C(C3)C2C1=O
InChIInChI=1S/C14H23NO2Si/c1-4-15-13(16)11-8-5-9(12(11)14(15)17)10(6-8)18-7(2)3/h7-12H,4-6,18H2,1-3H3
InChIKeyIDWZTRDVAKAWQF-UHFFFAOYSA-N
XLogP1.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 51.43
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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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-8-propan-2-ylsilyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The IUPAC name of 4-ethyl-8-propan-2-ylsilyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione (CID 123985529) is 4-ethyl-8-propan-2-ylsilyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.
What is the SMILES notation for 4-ethyl-8-propan-2-ylsilyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The canonical SMILES for 4-ethyl-8-propan-2-ylsilyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione is CCN1C(=O)C2C3CC([SiH2]C(C)C)C(C3)C2C1=O.
What is the InChIKey of 4-ethyl-8-propan-2-ylsilyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The InChIKey is IDWZTRDVAKAWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2Si/c1-4-15-13(16)11-8-5-9(12(11)14(15)17)10(6-8)18-7(2)3/h7-12H,4-6,18H2,1-3H3.
What are the key properties of 4-ethyl-8-propan-2-ylsilyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
4-ethyl-8-propan-2-ylsilyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione has a molecular weight of 265.43 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-8-propan-2-ylsilyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione is sourced from PubChem (CID 123985529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).