11-(pyridin-3-ylmethyl)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene

C16H16N2 — CID 56794347

IUPAC11-(pyridin-3-ylmethyl)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESc1cncc(CN2C3CCC2c2ccccc23)c1
InChIInChI=1S/C16H16N2/c1-2-6-14-13(5-1)15-7-8-16(14)18(15)11-12-4-3-9-17-10-12/h1-6,9-10,15-16H,7-8,11H2
InChIKeyUKWRBZCYEFKNGV-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.47
Rot. Bonds2

About 11-(pyridin-3-ylmethyl)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene

11-(pyridin-3-ylmethyl)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene (PubChem CID 56794347) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 11-(pyridin-3-ylmethyl)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene.

Molecular Properties

Compound Name11-(pyridin-3-ylmethyl)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
PubChem CID56794347
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name11-(pyridin-3-ylmethyl)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESc1cncc(CN2C3CCC2c2ccccc23)c1
InChIInChI=1S/C16H16N2/c1-2-6-14-13(5-1)15-7-8-16(14)18(15)11-12-4-3-9-17-10-12/h1-6,9-10,15-16H,7-8,11H2
InChIKeyUKWRBZCYEFKNGV-UHFFFAOYSA-N
XLogP3.47
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11-(pyridin-3-ylmethyl)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The IUPAC name of 11-(pyridin-3-ylmethyl)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene (CID 56794347) is 11-(pyridin-3-ylmethyl)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene.
What is the SMILES notation for 11-(pyridin-3-ylmethyl)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The canonical SMILES for 11-(pyridin-3-ylmethyl)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene is c1cncc(CN2C3CCC2c2ccccc23)c1.
What is the InChIKey of 11-(pyridin-3-ylmethyl)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The InChIKey is UKWRBZCYEFKNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-2-6-14-13(5-1)15-7-8-16(14)18(15)11-12-4-3-9-17-10-12/h1-6,9-10,15-16H,7-8,11H2.
What are the key properties of 11-(pyridin-3-ylmethyl)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
11-(pyridin-3-ylmethyl)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene has a molecular weight of 236.32 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(pyridin-3-ylmethyl)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene is sourced from PubChem (CID 56794347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).