6-pyridin-3-yl-3-azabicyclo[3.3.1]non-6-ene

C13H16N2 — CID 57485529

IUPAC6-pyridin-3-yl-3-azabicyclo[3.3.1]non-6-ene
SMILESC1=C(c2cccnc2)C2CNCC(C1)C2
InChIInChI=1S/C13H16N2/c1-2-11(8-14-5-1)13-4-3-10-6-12(13)9-15-7-10/h1-2,4-5,8,10,12,15H,3,6-7,9H2
InChIKeyHKZBHLLOHDQLHW-UHFFFAOYSA-N
MW200.29 g/mol
LogP2.09
Rot. Bonds1

About 6-pyridin-3-yl-3-azabicyclo[3.3.1]non-6-ene

6-pyridin-3-yl-3-azabicyclo[3.3.1]non-6-ene (PubChem CID 57485529) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 6-pyridin-3-yl-3-azabicyclo[3.3.1]non-6-ene.

Molecular Properties

Compound Name6-pyridin-3-yl-3-azabicyclo[3.3.1]non-6-ene
PubChem CID57485529
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name6-pyridin-3-yl-3-azabicyclo[3.3.1]non-6-ene
SMILESC1=C(c2cccnc2)C2CNCC(C1)C2
InChIInChI=1S/C13H16N2/c1-2-11(8-14-5-1)13-4-3-10-6-12(13)9-15-7-10/h1-2,4-5,8,10,12,15H,3,6-7,9H2
InChIKeyHKZBHLLOHDQLHW-UHFFFAOYSA-N
XLogP2.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-pyridin-3-yl-3-azabicyclo[3.3.1]non-6-ene?
The IUPAC name of 6-pyridin-3-yl-3-azabicyclo[3.3.1]non-6-ene (CID 57485529) is 6-pyridin-3-yl-3-azabicyclo[3.3.1]non-6-ene.
What is the SMILES notation for 6-pyridin-3-yl-3-azabicyclo[3.3.1]non-6-ene?
The canonical SMILES for 6-pyridin-3-yl-3-azabicyclo[3.3.1]non-6-ene is C1=C(c2cccnc2)C2CNCC(C1)C2.
What is the InChIKey of 6-pyridin-3-yl-3-azabicyclo[3.3.1]non-6-ene?
The InChIKey is HKZBHLLOHDQLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-2-11(8-14-5-1)13-4-3-10-6-12(13)9-15-7-10/h1-2,4-5,8,10,12,15H,3,6-7,9H2.
What are the key properties of 6-pyridin-3-yl-3-azabicyclo[3.3.1]non-6-ene?
6-pyridin-3-yl-3-azabicyclo[3.3.1]non-6-ene has a molecular weight of 200.29 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-3-yl-3-azabicyclo[3.3.1]non-6-ene is sourced from PubChem (CID 57485529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).