6-azatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene

C11H11N — CID 18732232

IUPAC6-azatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene
SMILESC1=C2CNCc3cccc(c32)C1
InChIInChI=1S/C11H11N/c1-2-8-4-5-10-7-12-6-9(3-1)11(8)10/h1-3,5,12H,4,6-7H2
InChIKeyLLFJHPLEGAZZPI-UHFFFAOYSA-N
MW157.22 g/mol
LogP1.73
Rot. Bonds

About 6-azatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene

6-azatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene (PubChem CID 18732232) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is 6-azatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene.

Molecular Properties

Compound Name6-azatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene
PubChem CID18732232
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC Name6-azatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene
SMILESC1=C2CNCc3cccc(c32)C1
InChIInChI=1S/C11H11N/c1-2-8-4-5-10-7-12-6-9(3-1)11(8)10/h1-3,5,12H,4,6-7H2
InChIKeyLLFJHPLEGAZZPI-UHFFFAOYSA-N
XLogP1.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-azatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene?
The IUPAC name of 6-azatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene (CID 18732232) is 6-azatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene.
What is the SMILES notation for 6-azatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene?
The canonical SMILES for 6-azatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene is C1=C2CNCc3cccc(c32)C1.
What is the InChIKey of 6-azatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene?
The InChIKey is LLFJHPLEGAZZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N/c1-2-8-4-5-10-7-12-6-9(3-1)11(8)10/h1-3,5,12H,4,6-7H2.
What are the key properties of 6-azatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene?
6-azatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene has a molecular weight of 157.22 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene is sourced from PubChem (CID 18732232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).