9-azaspiro[5.6]dodec-4-ene

C11H19N — CID 58595218

IUPAC9-azaspiro[5.6]dodec-4-ene
SMILESC1=CC2(CCC1)CCCNCC2
InChIInChI=1S/C11H19N/c1-2-5-11(6-3-1)7-4-9-12-10-8-11/h2,5,12H,1,3-4,6-10H2
InChIKeyVBNYPGDKHRACDW-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.49
Rot. Bonds

About 9-azaspiro[5.6]dodec-4-ene

9-azaspiro[5.6]dodec-4-ene (PubChem CID 58595218) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 9-azaspiro[5.6]dodec-4-ene.

Molecular Properties

Compound Name9-azaspiro[5.6]dodec-4-ene
PubChem CID58595218
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name9-azaspiro[5.6]dodec-4-ene
SMILESC1=CC2(CCC1)CCCNCC2
InChIInChI=1S/C11H19N/c1-2-5-11(6-3-1)7-4-9-12-10-8-11/h2,5,12H,1,3-4,6-10H2
InChIKeyVBNYPGDKHRACDW-UHFFFAOYSA-N
XLogP2.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-azaspiro[5.6]dodec-4-ene?
The IUPAC name of 9-azaspiro[5.6]dodec-4-ene (CID 58595218) is 9-azaspiro[5.6]dodec-4-ene.
What is the SMILES notation for 9-azaspiro[5.6]dodec-4-ene?
The canonical SMILES for 9-azaspiro[5.6]dodec-4-ene is C1=CC2(CCC1)CCCNCC2.
What is the InChIKey of 9-azaspiro[5.6]dodec-4-ene?
The InChIKey is VBNYPGDKHRACDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-2-5-11(6-3-1)7-4-9-12-10-8-11/h2,5,12H,1,3-4,6-10H2.
What are the key properties of 9-azaspiro[5.6]dodec-4-ene?
9-azaspiro[5.6]dodec-4-ene has a molecular weight of 165.28 g/mol, XLogP of 2.49, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-azaspiro[5.6]dodec-4-ene is sourced from PubChem (CID 58595218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).