tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4,5-dicarbonitrile

C14H14N2 — CID 59748094

IUPACtetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4,5-dicarbonitrile
SMILESN#CC1C(C#N)C2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C14H14N2/c15-5-11-9-4-10(12(11)6-16)14-8-2-1-7(3-8)13(9)14/h1-2,7-14H,3-4H2
InChIKeyFJBMDQACDJYODX-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.35
Rot. Bonds

About tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4,5-dicarbonitrile

tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4,5-dicarbonitrile (PubChem CID 59748094) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4,5-dicarbonitrile.

Molecular Properties

Compound Nametetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4,5-dicarbonitrile
PubChem CID59748094
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Nametetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4,5-dicarbonitrile
SMILESN#CC1C(C#N)C2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C14H14N2/c15-5-11-9-4-10(12(11)6-16)14-8-2-1-7(3-8)13(9)14/h1-2,7-14H,3-4H2
InChIKeyFJBMDQACDJYODX-UHFFFAOYSA-N
XLogP2.35
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4,5-dicarbonitrile?
The IUPAC name of tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4,5-dicarbonitrile (CID 59748094) is tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4,5-dicarbonitrile.
What is the SMILES notation for tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4,5-dicarbonitrile?
The canonical SMILES for tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4,5-dicarbonitrile is N#CC1C(C#N)C2CC1C1C3C=CC(C3)C21.
What is the InChIKey of tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4,5-dicarbonitrile?
The InChIKey is FJBMDQACDJYODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c15-5-11-9-4-10(12(11)6-16)14-8-2-1-7(3-8)13(9)14/h1-2,7-14H,3-4H2.
What are the key properties of tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4,5-dicarbonitrile?
tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4,5-dicarbonitrile has a molecular weight of 210.28 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4,5-dicarbonitrile is sourced from PubChem (CID 59748094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).