8,8,9-trimethyl-4-methylidene-3-aza-8-silatricyclo[5.1.1.02,6]nona-1,5,7(9)-triene

C11H13NSi — CID 54231710

IUPAC8,8,9-trimethyl-4-methylidene-3-aza-8-silatricyclo[5.1.1.02,6]nona-1,5,7(9)-triene
SMILESC=c1cc2c([nH]1)=C1C(C)=C2[Si]1(C)C
InChIInChI=1S/C11H13NSi/c1-6-5-8-9(12-6)11-7(2)10(8)13(11,3)4/h5,12H,1H2,2-4H3
InChIKeyQJTAJLXJYPYRMF-UHFFFAOYSA-N
MW187.32 g/mol
LogP1.16
Rot. Bonds

About 8,8,9-trimethyl-4-methylidene-3-aza-8-silatricyclo[5.1.1.02,6]nona-1,5,7(9)-triene

8,8,9-trimethyl-4-methylidene-3-aza-8-silatricyclo[5.1.1.02,6]nona-1,5,7(9)-triene (PubChem CID 54231710) has the molecular formula C11H13NSi and a molecular weight of 187.32 g/mol. Its IUPAC name is 8,8,9-trimethyl-4-methylidene-3-aza-8-silatricyclo[5.1.1.02,6]nona-1,5,7(9)-triene.

Molecular Properties

Compound Name8,8,9-trimethyl-4-methylidene-3-aza-8-silatricyclo[5.1.1.02,6]nona-1,5,7(9)-triene
PubChem CID54231710
Molecular FormulaC11H13NSi
Molecular Weight187.32 g/mol
Exact Mass187.08
IUPAC Name8,8,9-trimethyl-4-methylidene-3-aza-8-silatricyclo[5.1.1.02,6]nona-1,5,7(9)-triene
SMILESC=c1cc2c([nH]1)=C1C(C)=C2[Si]1(C)C
InChIInChI=1S/C11H13NSi/c1-6-5-8-9(12-6)11-7(2)10(8)13(11,3)4/h5,12H,1H2,2-4H3
InChIKeyQJTAJLXJYPYRMF-UHFFFAOYSA-N
XLogP1.16
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.32
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8,8,9-trimethyl-4-methylidene-3-aza-8-silatricyclo[5.1.1.02,6]nona-1,5,7(9)-triene?
The IUPAC name of 8,8,9-trimethyl-4-methylidene-3-aza-8-silatricyclo[5.1.1.02,6]nona-1,5,7(9)-triene (CID 54231710) is 8,8,9-trimethyl-4-methylidene-3-aza-8-silatricyclo[5.1.1.02,6]nona-1,5,7(9)-triene.
What is the SMILES notation for 8,8,9-trimethyl-4-methylidene-3-aza-8-silatricyclo[5.1.1.02,6]nona-1,5,7(9)-triene?
The canonical SMILES for 8,8,9-trimethyl-4-methylidene-3-aza-8-silatricyclo[5.1.1.02,6]nona-1,5,7(9)-triene is C=c1cc2c([nH]1)=C1C(C)=C2[Si]1(C)C.
What is the InChIKey of 8,8,9-trimethyl-4-methylidene-3-aza-8-silatricyclo[5.1.1.02,6]nona-1,5,7(9)-triene?
The InChIKey is QJTAJLXJYPYRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NSi/c1-6-5-8-9(12-6)11-7(2)10(8)13(11,3)4/h5,12H,1H2,2-4H3.
What are the key properties of 8,8,9-trimethyl-4-methylidene-3-aza-8-silatricyclo[5.1.1.02,6]nona-1,5,7(9)-triene?
8,8,9-trimethyl-4-methylidene-3-aza-8-silatricyclo[5.1.1.02,6]nona-1,5,7(9)-triene has a molecular weight of 187.32 g/mol, XLogP of 1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,9-trimethyl-4-methylidene-3-aza-8-silatricyclo[5.1.1.02,6]nona-1,5,7(9)-triene is sourced from PubChem (CID 54231710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).