4-azatricyclo[6.2.2.02,7]dodec-1-ene

C11H17N — CID 67440690

IUPAC4-azatricyclo[6.2.2.02,7]dodec-1-ene
SMILESC1CC2C(=C3CCC2CC3)CN1
InChIInChI=1S/C11H17N/c1-3-9-4-2-8(1)10-5-6-12-7-11(9)10/h8,10,12H,1-7H2
InChIKeyMNQOTWSVNIVDTE-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.10
Rot. Bonds

About 4-azatricyclo[6.2.2.02,7]dodec-1-ene

4-azatricyclo[6.2.2.02,7]dodec-1-ene (PubChem CID 67440690) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 4-azatricyclo[6.2.2.02,7]dodec-1-ene.

Molecular Properties

Compound Name4-azatricyclo[6.2.2.02,7]dodec-1-ene
PubChem CID67440690
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name4-azatricyclo[6.2.2.02,7]dodec-1-ene
SMILESC1CC2C(=C3CCC2CC3)CN1
InChIInChI=1S/C11H17N/c1-3-9-4-2-8(1)10-5-6-12-7-11(9)10/h8,10,12H,1-7H2
InChIKeyMNQOTWSVNIVDTE-UHFFFAOYSA-N
XLogP2.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.10
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 4-azatricyclo[6.2.2.02,7]dodec-1-ene?
The IUPAC name of 4-azatricyclo[6.2.2.02,7]dodec-1-ene (CID 67440690) is 4-azatricyclo[6.2.2.02,7]dodec-1-ene.
What is the SMILES notation for 4-azatricyclo[6.2.2.02,7]dodec-1-ene?
The canonical SMILES for 4-azatricyclo[6.2.2.02,7]dodec-1-ene is C1CC2C(=C3CCC2CC3)CN1.
What is the InChIKey of 4-azatricyclo[6.2.2.02,7]dodec-1-ene?
The InChIKey is MNQOTWSVNIVDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-3-9-4-2-8(1)10-5-6-12-7-11(9)10/h8,10,12H,1-7H2.
What are the key properties of 4-azatricyclo[6.2.2.02,7]dodec-1-ene?
4-azatricyclo[6.2.2.02,7]dodec-1-ene has a molecular weight of 163.26 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azatricyclo[6.2.2.02,7]dodec-1-ene is sourced from PubChem (CID 67440690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).