10,11-diazabicyclo[7.2.1]dodec-1(11)-ene

C10H18N2 — CID 24976518

IUPAC10,11-diazabicyclo[7.2.1]dodec-1(11)-ene
SMILESC1CCCC2=NNC(CCC1)C2
InChIInChI=1S/C10H18N2/c1-2-4-6-9-8-10(12-11-9)7-5-3-1/h9,11H,1-8H2
InChIKeyQIJNZWAJHXSEOO-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.45
Rot. Bonds

About 10,11-diazabicyclo[7.2.1]dodec-1(11)-ene

10,11-diazabicyclo[7.2.1]dodec-1(11)-ene (PubChem CID 24976518) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 10,11-diazabicyclo[7.2.1]dodec-1(11)-ene.

Molecular Properties

Compound Name10,11-diazabicyclo[7.2.1]dodec-1(11)-ene
PubChem CID24976518
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name10,11-diazabicyclo[7.2.1]dodec-1(11)-ene
SMILESC1CCCC2=NNC(CCC1)C2
InChIInChI=1S/C10H18N2/c1-2-4-6-9-8-10(12-11-9)7-5-3-1/h9,11H,1-8H2
InChIKeyQIJNZWAJHXSEOO-UHFFFAOYSA-N
XLogP2.45
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10,11-diazabicyclo[7.2.1]dodec-1(11)-ene?
The IUPAC name of 10,11-diazabicyclo[7.2.1]dodec-1(11)-ene (CID 24976518) is 10,11-diazabicyclo[7.2.1]dodec-1(11)-ene.
What is the SMILES notation for 10,11-diazabicyclo[7.2.1]dodec-1(11)-ene?
The canonical SMILES for 10,11-diazabicyclo[7.2.1]dodec-1(11)-ene is C1CCCC2=NNC(CCC1)C2.
What is the InChIKey of 10,11-diazabicyclo[7.2.1]dodec-1(11)-ene?
The InChIKey is QIJNZWAJHXSEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-2-4-6-9-8-10(12-11-9)7-5-3-1/h9,11H,1-8H2.
What are the key properties of 10,11-diazabicyclo[7.2.1]dodec-1(11)-ene?
10,11-diazabicyclo[7.2.1]dodec-1(11)-ene has a molecular weight of 166.27 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,11-diazabicyclo[7.2.1]dodec-1(11)-ene is sourced from PubChem (CID 24976518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).