4-phenyl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene

C15H15N — CID 3061047

IUPAC4-phenyl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene
SMILESc1ccc(-n2cc3c(c2)C2CCC3C2)cc1
InChIInChI=1S/C15H15N/c1-2-4-13(5-3-1)16-9-14-11-6-7-12(8-11)15(14)10-16/h1-5,9-12H,6-8H2
InChIKeyVGWWXZBRLRNIGC-UHFFFAOYSA-N
MW209.29 g/mol
LogP3.84
Rot. Bonds1

About 4-phenyl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene

4-phenyl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene (PubChem CID 3061047) has the molecular formula C15H15N and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-phenyl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene.

Molecular Properties

Compound Name4-phenyl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene
PubChem CID3061047
Molecular FormulaC15H15N
Molecular Weight209.29 g/mol
Exact Mass209.12
IUPAC Name4-phenyl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene
SMILESc1ccc(-n2cc3c(c2)C2CCC3C2)cc1
InChIInChI=1S/C15H15N/c1-2-4-13(5-3-1)16-9-14-11-6-7-12(8-11)15(14)10-16/h1-5,9-12H,6-8H2
InChIKeyVGWWXZBRLRNIGC-UHFFFAOYSA-N
XLogP3.84
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene?
The IUPAC name of 4-phenyl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene (CID 3061047) is 4-phenyl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene.
What is the SMILES notation for 4-phenyl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene?
The canonical SMILES for 4-phenyl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene is c1ccc(-n2cc3c(c2)C2CCC3C2)cc1.
What is the InChIKey of 4-phenyl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene?
The InChIKey is VGWWXZBRLRNIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N/c1-2-4-13(5-3-1)16-9-14-11-6-7-12(8-11)15(14)10-16/h1-5,9-12H,6-8H2.
What are the key properties of 4-phenyl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene?
4-phenyl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene has a molecular weight of 209.29 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene is sourced from PubChem (CID 3061047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).