5-pyridin-3-yl-3-azatricyclo[5.2.0.01,4]non-8-ene

C13H14N2 — CID 166917654

IUPAC5-pyridin-3-yl-3-azatricyclo[5.2.0.01,4]non-8-ene
SMILESC1=CC23CNC2C(c2cccnc2)CC13
InChIInChI=1S/C13H14N2/c1-2-9(7-14-5-1)11-6-10-3-4-13(10)8-15-12(11)13/h1-5,7,10-12,15H,6,8H2
InChIKeyFJPZMSCIGWORLM-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.71
Rot. Bonds1

About 5-pyridin-3-yl-3-azatricyclo[5.2.0.01,4]non-8-ene

5-pyridin-3-yl-3-azatricyclo[5.2.0.01,4]non-8-ene (PubChem CID 166917654) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 5-pyridin-3-yl-3-azatricyclo[5.2.0.01,4]non-8-ene.

Molecular Properties

Compound Name5-pyridin-3-yl-3-azatricyclo[5.2.0.01,4]non-8-ene
PubChem CID166917654
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name5-pyridin-3-yl-3-azatricyclo[5.2.0.01,4]non-8-ene
SMILESC1=CC23CNC2C(c2cccnc2)CC13
InChIInChI=1S/C13H14N2/c1-2-9(7-14-5-1)11-6-10-3-4-13(10)8-15-12(11)13/h1-5,7,10-12,15H,6,8H2
InChIKeyFJPZMSCIGWORLM-UHFFFAOYSA-N
XLogP1.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(1R,2R)-2-methylcyclopropyl]pyridine
CID 59474162
3-(2-bromocyclopropyl)pyridine
CID 130539890
3-[(2S)-aziridin-2-yl]pyridine
CID 55263397
8-pyridin-3-yl-2-azabicyclo[3.3.1]nonane
CID 57485542
6-pyridin-3-yl-3-azabicyclo[3.3.1]nonane
CID 57485543
(3-pyridin-3-ylpyrrolidin-2-yl)methanol
CID 126982382
[(1S,2R)-2-pyridin-3-ylcyclopropyl]methanamine
CID 86319036
3-[(1R,2R)-2-ethylcyclopropyl]pyridine
CID 142709158
3-[(1S,2R)-2-propan-2-ylcyclopropyl]pyridine
CID 167340168
3-(2-methylcyclobutyl)pyridine
CID 174716389
3-(2-bromocyclobutyl)pyridine
CID 142785630
3-[3-(3,5-dipyridin-3-ylcyclohexyl)-5-pyridin-3-ylcyclohexyl]pyridine
CID 58652188

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-yl-3-azatricyclo[5.2.0.01,4]non-8-ene?
The IUPAC name of 5-pyridin-3-yl-3-azatricyclo[5.2.0.01,4]non-8-ene (CID 166917654) is 5-pyridin-3-yl-3-azatricyclo[5.2.0.01,4]non-8-ene.
What is the SMILES notation for 5-pyridin-3-yl-3-azatricyclo[5.2.0.01,4]non-8-ene?
The canonical SMILES for 5-pyridin-3-yl-3-azatricyclo[5.2.0.01,4]non-8-ene is C1=CC23CNC2C(c2cccnc2)CC13.
What is the InChIKey of 5-pyridin-3-yl-3-azatricyclo[5.2.0.01,4]non-8-ene?
The InChIKey is FJPZMSCIGWORLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-2-9(7-14-5-1)11-6-10-3-4-13(10)8-15-12(11)13/h1-5,7,10-12,15H,6,8H2.
What are the key properties of 5-pyridin-3-yl-3-azatricyclo[5.2.0.01,4]non-8-ene?
5-pyridin-3-yl-3-azatricyclo[5.2.0.01,4]non-8-ene has a molecular weight of 198.27 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-yl-3-azatricyclo[5.2.0.01,4]non-8-ene is sourced from PubChem (CID 166917654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).