(1S,2S,6R,7R,8R,10S)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene

C11H15N — CID 166466420

IUPAC(1S,2S,6R,7R,8R,10S)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene
SMILESC1=C[C@H]2[C@H]3CNC[C@H]3[C@@H]1[C@H]1C[C@@H]21
InChIInChI=1S/C11H15N/c1-2-7-9-3-8(9)6(1)10-4-12-5-11(7)10/h1-2,6-12H,3-5H2/t6-,7+,8+,9-,10-,11+
InChIKeyGRDWJMWYLYEGON-BORBHHORSA-N
MW161.25 g/mol
LogP1.27
Rot. Bonds

About (1S,2S,6R,7R,8R,10S)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene

(1S,2S,6R,7R,8R,10S)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene (PubChem CID 166466420) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is (1S,2S,6R,7R,8R,10S)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene.

Molecular Properties

Compound Name(1S,2S,6R,7R,8R,10S)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene
PubChem CID166466420
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name(1S,2S,6R,7R,8R,10S)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene
SMILESC1=C[C@H]2[C@H]3CNC[C@H]3[C@@H]1[C@H]1C[C@@H]21
InChIInChI=1S/C11H15N/c1-2-7-9-3-8(9)6(1)10-4-12-5-11(7)10/h1-2,6-12H,3-5H2/t6-,7+,8+,9-,10-,11+
InChIKeyGRDWJMWYLYEGON-BORBHHORSA-N
XLogP1.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 51.27
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 (1S,2S,6R,7R,8R,10S)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene?
The IUPAC name of (1S,2S,6R,7R,8R,10S)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene (CID 166466420) is (1S,2S,6R,7R,8R,10S)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene.
What is the SMILES notation for (1S,2S,6R,7R,8R,10S)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene?
The canonical SMILES for (1S,2S,6R,7R,8R,10S)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene is C1=C[C@H]2[C@H]3CNC[C@H]3[C@@H]1[C@H]1C[C@@H]21.
What is the InChIKey of (1S,2S,6R,7R,8R,10S)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene?
The InChIKey is GRDWJMWYLYEGON-BORBHHORSA-N. The full InChI is InChI=1S/C11H15N/c1-2-7-9-3-8(9)6(1)10-4-12-5-11(7)10/h1-2,6-12H,3-5H2/t6-,7+,8+,9-,10-,11+.
What are the key properties of (1S,2S,6R,7R,8R,10S)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene?
(1S,2S,6R,7R,8R,10S)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene has a molecular weight of 161.25 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,6R,7R,8R,10S)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene is sourced from PubChem (CID 166466420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).