(1S,5Z,10S)-11-[tert-butyl(dimethyl)silyl]-11-azabicyclo[8.2.0]dodec-5-en-3,7-diyn-12-one

C17H23NOSi — CID 10589234

IUPAC(1S,5Z,10S)-11-[tert-butyl(dimethyl)silyl]-11-azabicyclo[8.2.0]dodec-5-en-3,7-diyn-12-one
SMILESCC(C)(C)[Si](C)(C)N1C(=O)[C@H]2CC#C/C=C\C#CC[C@@H]21
InChIInChI=1S/C17H23NOSi/c1-17(2,3)20(4,5)18-15-13-11-9-7-6-8-10-12-14(15)16(18)19/h6-7,14-15H,12-13H2,1-5H3/b7-6-/t14-,15-/m0/s1
InChIKeyFDDCSBUUKBXYLL-BEWKBBBFSA-N
MW285.46 g/mol
LogP3.18
Rot. Bonds1

About (1S,5Z,10S)-11-[tert-butyl(dimethyl)silyl]-11-azabicyclo[8.2.0]dodec-5-en-3,7-diyn-12-one

(1S,5Z,10S)-11-[tert-butyl(dimethyl)silyl]-11-azabicyclo[8.2.0]dodec-5-en-3,7-diyn-12-one (PubChem CID 10589234) has the molecular formula C17H23NOSi and a molecular weight of 285.46 g/mol. Its IUPAC name is (1S,5Z,10S)-11-[tert-butyl(dimethyl)silyl]-11-azabicyclo[8.2.0]dodec-5-en-3,7-diyn-12-one.

Molecular Properties

Compound Name(1S,5Z,10S)-11-[tert-butyl(dimethyl)silyl]-11-azabicyclo[8.2.0]dodec-5-en-3,7-diyn-12-one
PubChem CID10589234
Molecular FormulaC17H23NOSi
Molecular Weight285.46 g/mol
Exact Mass285.15
IUPAC Name(1S,5Z,10S)-11-[tert-butyl(dimethyl)silyl]-11-azabicyclo[8.2.0]dodec-5-en-3,7-diyn-12-one
SMILESCC(C)(C)[Si](C)(C)N1C(=O)[C@H]2CC#C/C=C\C#CC[C@@H]21
InChIInChI=1S/C17H23NOSi/c1-17(2,3)20(4,5)18-15-13-11-9-7-6-8-10-12-14(15)16(18)19/h6-7,14-15H,12-13H2,1-5H3/b7-6-/t14-,15-/m0/s1
InChIKeyFDDCSBUUKBXYLL-BEWKBBBFSA-N
XLogP3.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,5Z,10S)-11-[tert-butyl(dimethyl)silyl]-11-azabicyclo[8.2.0]dodec-5-en-3,7-diyn-12-one?
The IUPAC name of (1S,5Z,10S)-11-[tert-butyl(dimethyl)silyl]-11-azabicyclo[8.2.0]dodec-5-en-3,7-diyn-12-one (CID 10589234) is (1S,5Z,10S)-11-[tert-butyl(dimethyl)silyl]-11-azabicyclo[8.2.0]dodec-5-en-3,7-diyn-12-one.
What is the SMILES notation for (1S,5Z,10S)-11-[tert-butyl(dimethyl)silyl]-11-azabicyclo[8.2.0]dodec-5-en-3,7-diyn-12-one?
The canonical SMILES for (1S,5Z,10S)-11-[tert-butyl(dimethyl)silyl]-11-azabicyclo[8.2.0]dodec-5-en-3,7-diyn-12-one is CC(C)(C)[Si](C)(C)N1C(=O)[C@H]2CC#C/C=C\C#CC[C@@H]21.
What is the InChIKey of (1S,5Z,10S)-11-[tert-butyl(dimethyl)silyl]-11-azabicyclo[8.2.0]dodec-5-en-3,7-diyn-12-one?
The InChIKey is FDDCSBUUKBXYLL-BEWKBBBFSA-N. The full InChI is InChI=1S/C17H23NOSi/c1-17(2,3)20(4,5)18-15-13-11-9-7-6-8-10-12-14(15)16(18)19/h6-7,14-15H,12-13H2,1-5H3/b7-6-/t14-,15-/m0/s1.
What are the key properties of (1S,5Z,10S)-11-[tert-butyl(dimethyl)silyl]-11-azabicyclo[8.2.0]dodec-5-en-3,7-diyn-12-one?
(1S,5Z,10S)-11-[tert-butyl(dimethyl)silyl]-11-azabicyclo[8.2.0]dodec-5-en-3,7-diyn-12-one has a molecular weight of 285.46 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5Z,10S)-11-[tert-butyl(dimethyl)silyl]-11-azabicyclo[8.2.0]dodec-5-en-3,7-diyn-12-one is sourced from PubChem (CID 10589234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).