8-azaspiro[5.6]dodec-4-ene

C11H19N — CID 58595226

IUPAC8-azaspiro[5.6]dodec-4-ene
SMILESC1=CC2(CCC1)CCCCNC2
InChIInChI=1S/C11H19N/c1-2-6-11(7-3-1)8-4-5-9-12-10-11/h2,6,12H,1,3-5,7-10H2
InChIKeySVGFRDPTNZFCMK-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.49
Rot. Bonds

About 8-azaspiro[5.6]dodec-4-ene

8-azaspiro[5.6]dodec-4-ene (PubChem CID 58595226) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 8-azaspiro[5.6]dodec-4-ene.

Molecular Properties

Compound Name8-azaspiro[5.6]dodec-4-ene
PubChem CID58595226
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name8-azaspiro[5.6]dodec-4-ene
SMILESC1=CC2(CCC1)CCCCNC2
InChIInChI=1S/C11H19N/c1-2-6-11(7-3-1)8-4-5-9-12-10-11/h2,6,12H,1,3-5,7-10H2
InChIKeySVGFRDPTNZFCMK-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 8-azaspiro[5.6]dodec-4-ene?
The IUPAC name of 8-azaspiro[5.6]dodec-4-ene (CID 58595226) is 8-azaspiro[5.6]dodec-4-ene.
What is the SMILES notation for 8-azaspiro[5.6]dodec-4-ene?
The canonical SMILES for 8-azaspiro[5.6]dodec-4-ene is C1=CC2(CCC1)CCCCNC2.
What is the InChIKey of 8-azaspiro[5.6]dodec-4-ene?
The InChIKey is SVGFRDPTNZFCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-2-6-11(7-3-1)8-4-5-9-12-10-11/h2,6,12H,1,3-5,7-10H2.
What are the key properties of 8-azaspiro[5.6]dodec-4-ene?
8-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 8-azaspiro[5.6]dodec-4-ene is sourced from PubChem (CID 58595226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).