1-azatricyclo[6.3.1.04,12]dodec-6-en-5-one

C11H15NO — CID 12896513

IUPAC1-azatricyclo[6.3.1.04,12]dodec-6-en-5-one
SMILESO=C1C=CC2CCCN3CCC1C23
InChIInChI=1S/C11H15NO/c13-10-4-3-8-2-1-6-12-7-5-9(10)11(8)12/h3-4,8-9,11H,1-2,5-7H2
InChIKeyUUCWLTTZRYFNQL-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.23
Rot. Bonds

About 1-azatricyclo[6.3.1.04,12]dodec-6-en-5-one

1-azatricyclo[6.3.1.04,12]dodec-6-en-5-one (PubChem CID 12896513) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-azatricyclo[6.3.1.04,12]dodec-6-en-5-one.

Molecular Properties

Compound Name1-azatricyclo[6.3.1.04,12]dodec-6-en-5-one
PubChem CID12896513
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1-azatricyclo[6.3.1.04,12]dodec-6-en-5-one
SMILESO=C1C=CC2CCCN3CCC1C23
InChIInChI=1S/C11H15NO/c13-10-4-3-8-2-1-6-12-7-5-9(10)11(8)12/h3-4,8-9,11H,1-2,5-7H2
InChIKeyUUCWLTTZRYFNQL-UHFFFAOYSA-N
XLogP1.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-azatricyclo[6.3.1.04,12]dodec-6-en-5-one?
The IUPAC name of 1-azatricyclo[6.3.1.04,12]dodec-6-en-5-one (CID 12896513) is 1-azatricyclo[6.3.1.04,12]dodec-6-en-5-one.
What is the SMILES notation for 1-azatricyclo[6.3.1.04,12]dodec-6-en-5-one?
The canonical SMILES for 1-azatricyclo[6.3.1.04,12]dodec-6-en-5-one is O=C1C=CC2CCCN3CCC1C23.
What is the InChIKey of 1-azatricyclo[6.3.1.04,12]dodec-6-en-5-one?
The InChIKey is UUCWLTTZRYFNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c13-10-4-3-8-2-1-6-12-7-5-9(10)11(8)12/h3-4,8-9,11H,1-2,5-7H2.
What are the key properties of 1-azatricyclo[6.3.1.04,12]dodec-6-en-5-one?
1-azatricyclo[6.3.1.04,12]dodec-6-en-5-one has a molecular weight of 177.25 g/mol, XLogP of 1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azatricyclo[6.3.1.04,12]dodec-6-en-5-one is sourced from PubChem (CID 12896513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).