8-pyridin-3-yl-8-azabicyclo[3.2.1]oct-2-ene

C12H14N2 — CID 102386273

IUPAC8-pyridin-3-yl-8-azabicyclo[3.2.1]oct-2-ene
SMILESC1=CC2CCC(C1)N2c1cccnc1
InChIInChI=1S/C12H14N2/c1-3-10-6-7-11(4-1)14(10)12-5-2-8-13-9-12/h1-3,5,8-11H,4,6-7H2
InChIKeyHKSGNRARQQACIH-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.38
Rot. Bonds1

About 8-pyridin-3-yl-8-azabicyclo[3.2.1]oct-2-ene

8-pyridin-3-yl-8-azabicyclo[3.2.1]oct-2-ene (PubChem CID 102386273) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 8-pyridin-3-yl-8-azabicyclo[3.2.1]oct-2-ene.

Molecular Properties

Compound Name8-pyridin-3-yl-8-azabicyclo[3.2.1]oct-2-ene
PubChem CID102386273
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name8-pyridin-3-yl-8-azabicyclo[3.2.1]oct-2-ene
SMILESC1=CC2CCC(C1)N2c1cccnc1
InChIInChI=1S/C12H14N2/c1-3-10-6-7-11(4-1)14(10)12-5-2-8-13-9-12/h1-3,5,8-11H,4,6-7H2
InChIKeyHKSGNRARQQACIH-UHFFFAOYSA-N
XLogP2.38
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R,6S,8R,12S)-4,10-dipyridin-3-yl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone
CID 7060312
9-methyl-3-pyridin-3-yl-3,9-diazabicyclo[3.3.1]nonane
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3-pyridin-3-yl-3-azabicyclo[3.1.0]hexane
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Frequently Asked Questions

What is the IUPAC name of 8-pyridin-3-yl-8-azabicyclo[3.2.1]oct-2-ene?
The IUPAC name of 8-pyridin-3-yl-8-azabicyclo[3.2.1]oct-2-ene (CID 102386273) is 8-pyridin-3-yl-8-azabicyclo[3.2.1]oct-2-ene.
What is the SMILES notation for 8-pyridin-3-yl-8-azabicyclo[3.2.1]oct-2-ene?
The canonical SMILES for 8-pyridin-3-yl-8-azabicyclo[3.2.1]oct-2-ene is C1=CC2CCC(C1)N2c1cccnc1.
What is the InChIKey of 8-pyridin-3-yl-8-azabicyclo[3.2.1]oct-2-ene?
The InChIKey is HKSGNRARQQACIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-3-10-6-7-11(4-1)14(10)12-5-2-8-13-9-12/h1-3,5,8-11H,4,6-7H2.
What are the key properties of 8-pyridin-3-yl-8-azabicyclo[3.2.1]oct-2-ene?
8-pyridin-3-yl-8-azabicyclo[3.2.1]oct-2-ene has a molecular weight of 186.26 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pyridin-3-yl-8-azabicyclo[3.2.1]oct-2-ene is sourced from PubChem (CID 102386273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).