4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene;hydrochloride

C11H16ClN — CID 90644904

IUPAC4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene;hydrochloride
SMILESC1=CC2C3CNCC3C1C1CC21.Cl
InChIInChI=1S/C11H15N.ClH/c1-2-7-9-3-8(9)6(1)10-4-12-5-11(7)10;/h1-2,6-12H,3-5H2;1H
InChIKeyBELHISANSQBLPB-UHFFFAOYSA-N
MW197.71 g/mol
LogP1.70
Rot. Bonds

About 4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene;hydrochloride

4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene;hydrochloride (PubChem CID 90644904) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is 4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene;hydrochloride.

Molecular Properties

Compound Name4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene;hydrochloride
PubChem CID90644904
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene;hydrochloride
SMILESC1=CC2C3CNCC3C1C1CC21.Cl
InChIInChI=1S/C11H15N.ClH/c1-2-7-9-3-8(9)6(1)10-4-12-5-11(7)10;/h1-2,6-12H,3-5H2;1H
InChIKeyBELHISANSQBLPB-UHFFFAOYSA-N
XLogP1.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 51.70
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-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene;hydrochloride?
The IUPAC name of 4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene;hydrochloride (CID 90644904) is 4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene;hydrochloride.
What is the SMILES notation for 4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene;hydrochloride?
The canonical SMILES for 4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene;hydrochloride is C1=CC2C3CNCC3C1C1CC21.Cl.
What is the InChIKey of 4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene;hydrochloride?
The InChIKey is BELHISANSQBLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.ClH/c1-2-7-9-3-8(9)6(1)10-4-12-5-11(7)10;/h1-2,6-12H,3-5H2;1H.
What are the key properties of 4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene;hydrochloride?
4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene;hydrochloride has a molecular weight of 197.71 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene;hydrochloride is sourced from PubChem (CID 90644904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).