(1R,6R)-2-pyridin-2-yl-9-azabicyclo[4.2.1]non-2-ene

C13H16N2 — CID 11074415

IUPAC(1R,6R)-2-pyridin-2-yl-9-azabicyclo[4.2.1]non-2-ene
SMILESC1=C(c2ccccn2)[C@H]2CC[C@@H](CC1)N2
InChIInChI=1S/C13H16N2/c1-2-9-14-12(6-1)11-5-3-4-10-7-8-13(11)15-10/h1-2,5-6,9-10,13,15H,3-4,7-8H2/t10-,13-/m1/s1
InChIKeyKAFONDJFZVCZCU-ZWNOBZJWSA-N
MW200.29 g/mol
LogP2.38
Rot. Bonds1

About (1R,6R)-2-pyridin-2-yl-9-azabicyclo[4.2.1]non-2-ene

(1R,6R)-2-pyridin-2-yl-9-azabicyclo[4.2.1]non-2-ene (PubChem CID 11074415) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is (1R,6R)-2-pyridin-2-yl-9-azabicyclo[4.2.1]non-2-ene.

Molecular Properties

Compound Name(1R,6R)-2-pyridin-2-yl-9-azabicyclo[4.2.1]non-2-ene
PubChem CID11074415
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name(1R,6R)-2-pyridin-2-yl-9-azabicyclo[4.2.1]non-2-ene
SMILESC1=C(c2ccccn2)[C@H]2CC[C@@H](CC1)N2
InChIInChI=1S/C13H16N2/c1-2-9-14-12(6-1)11-5-3-4-10-7-8-13(11)15-10/h1-2,5-6,9-10,13,15H,3-4,7-8H2/t10-,13-/m1/s1
InChIKeyKAFONDJFZVCZCU-ZWNOBZJWSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-pyridin-2-ylethenyl)-9-azabicyclo[4.2.1]non-2-ene
CID 70182870
2-(6-cyclopropylcyclohexa-1,5-dien-1-yl)pyridine
CID 143636701
5-(2,3,5,6-tetrafluoro-4-pyridin-2-ylphenyl)-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,21,22,23,24-docosahydro-1H-corrin
CID 54561991
5-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]-3-ethyl-1,2-oxazole
CID 53483935
(1S,8R)-3,6-dipyridin-2-yl-4,5-diazatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
CID 102119858
3-(8-azabicyclo[3.2.1]oct-2-en-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 168995048
(7S,10E)-1,4-dipyridin-2-yl-4a,5,6,7,8,9-hexahydrocycloocta[d]pyridazin-7-ol
CID 155421408
(10E)-1,4-dipyridin-2-yl-4a,5,6,7,8,9-hexahydrocycloocta[d]pyridazin-7-ol
CID 155421466
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643

Frequently Asked Questions

What is the IUPAC name of (1R,6R)-2-pyridin-2-yl-9-azabicyclo[4.2.1]non-2-ene?
The IUPAC name of (1R,6R)-2-pyridin-2-yl-9-azabicyclo[4.2.1]non-2-ene (CID 11074415) is (1R,6R)-2-pyridin-2-yl-9-azabicyclo[4.2.1]non-2-ene.
What is the SMILES notation for (1R,6R)-2-pyridin-2-yl-9-azabicyclo[4.2.1]non-2-ene?
The canonical SMILES for (1R,6R)-2-pyridin-2-yl-9-azabicyclo[4.2.1]non-2-ene is C1=C(c2ccccn2)[C@H]2CC[C@@H](CC1)N2.
What is the InChIKey of (1R,6R)-2-pyridin-2-yl-9-azabicyclo[4.2.1]non-2-ene?
The InChIKey is KAFONDJFZVCZCU-ZWNOBZJWSA-N. The full InChI is InChI=1S/C13H16N2/c1-2-9-14-12(6-1)11-5-3-4-10-7-8-13(11)15-10/h1-2,5-6,9-10,13,15H,3-4,7-8H2/t10-,13-/m1/s1.
What are the key properties of (1R,6R)-2-pyridin-2-yl-9-azabicyclo[4.2.1]non-2-ene?
(1R,6R)-2-pyridin-2-yl-9-azabicyclo[4.2.1]non-2-ene has a molecular weight of 200.29 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-2-pyridin-2-yl-9-azabicyclo[4.2.1]non-2-ene is sourced from PubChem (CID 11074415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).