7,11-diazatricyclo[7.3.1.02,7]trideca-3,5,8-triene

C11H14N2 — CID 68828942

IUPAC7,11-diazatricyclo[7.3.1.02,7]trideca-3,5,8-triene
SMILESC1=CC2C3CNCC(=CN2C=C1)C3
InChIInChI=1S/C11H14N2/c1-2-4-13-8-9-5-10(7-12-6-9)11(13)3-1/h1-4,8,10-12H,5-7H2
InChIKeyZNLSNFNDOQWHLS-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.25
Rot. Bonds

About 7,11-diazatricyclo[7.3.1.02,7]trideca-3,5,8-triene

7,11-diazatricyclo[7.3.1.02,7]trideca-3,5,8-triene (PubChem CID 68828942) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 7,11-diazatricyclo[7.3.1.02,7]trideca-3,5,8-triene.

Molecular Properties

Compound Name7,11-diazatricyclo[7.3.1.02,7]trideca-3,5,8-triene
PubChem CID68828942
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name7,11-diazatricyclo[7.3.1.02,7]trideca-3,5,8-triene
SMILESC1=CC2C3CNCC(=CN2C=C1)C3
InChIInChI=1S/C11H14N2/c1-2-4-13-8-9-5-10(7-12-6-9)11(13)3-1/h1-4,8,10-12H,5-7H2
InChIKeyZNLSNFNDOQWHLS-UHFFFAOYSA-N
XLogP1.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,11-diazatricyclo[7.3.1.02,7]trideca-3,5,8-triene?
The IUPAC name of 7,11-diazatricyclo[7.3.1.02,7]trideca-3,5,8-triene (CID 68828942) is 7,11-diazatricyclo[7.3.1.02,7]trideca-3,5,8-triene.
What is the SMILES notation for 7,11-diazatricyclo[7.3.1.02,7]trideca-3,5,8-triene?
The canonical SMILES for 7,11-diazatricyclo[7.3.1.02,7]trideca-3,5,8-triene is C1=CC2C3CNCC(=CN2C=C1)C3.
What is the InChIKey of 7,11-diazatricyclo[7.3.1.02,7]trideca-3,5,8-triene?
The InChIKey is ZNLSNFNDOQWHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-2-4-13-8-9-5-10(7-12-6-9)11(13)3-1/h1-4,8,10-12H,5-7H2.
What are the key properties of 7,11-diazatricyclo[7.3.1.02,7]trideca-3,5,8-triene?
7,11-diazatricyclo[7.3.1.02,7]trideca-3,5,8-triene has a molecular weight of 174.25 g/mol, XLogP of 1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,11-diazatricyclo[7.3.1.02,7]trideca-3,5,8-triene is sourced from PubChem (CID 68828942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).