2-(2-pyridin-2-ylethenyl)-9-azabicyclo[4.2.1]non-2-ene

C15H18N2 — CID 70182870

IUPAC2-(2-pyridin-2-ylethenyl)-9-azabicyclo[4.2.1]non-2-ene
SMILESC(=Cc1ccccn1)C1=CCCC2CCC1N2
InChIInChI=1S/C15H18N2/c1-2-11-16-13(5-1)8-7-12-4-3-6-14-9-10-15(12)17-14/h1-2,4-5,7-8,11,14-15,17H,3,6,9-10H2
InChIKeyUGLDPTWEUOJXNT-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.94
Rot. Bonds2

About 2-(2-pyridin-2-ylethenyl)-9-azabicyclo[4.2.1]non-2-ene

2-(2-pyridin-2-ylethenyl)-9-azabicyclo[4.2.1]non-2-ene (PubChem CID 70182870) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(2-pyridin-2-ylethenyl)-9-azabicyclo[4.2.1]non-2-ene.

Molecular Properties

Compound Name2-(2-pyridin-2-ylethenyl)-9-azabicyclo[4.2.1]non-2-ene
PubChem CID70182870
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name2-(2-pyridin-2-ylethenyl)-9-azabicyclo[4.2.1]non-2-ene
SMILESC(=Cc1ccccn1)C1=CCCC2CCC1N2
InChIInChI=1S/C15H18N2/c1-2-11-16-13(5-1)8-7-12-4-3-6-14-9-10-15(12)17-14/h1-2,4-5,7-8,11,14-15,17H,3,6,9-10H2
InChIKeyUGLDPTWEUOJXNT-UHFFFAOYSA-N
XLogP2.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-2-ylethenyl)-9-azabicyclo[4.2.1]non-2-ene?
The IUPAC name of 2-(2-pyridin-2-ylethenyl)-9-azabicyclo[4.2.1]non-2-ene (CID 70182870) is 2-(2-pyridin-2-ylethenyl)-9-azabicyclo[4.2.1]non-2-ene.
What is the SMILES notation for 2-(2-pyridin-2-ylethenyl)-9-azabicyclo[4.2.1]non-2-ene?
The canonical SMILES for 2-(2-pyridin-2-ylethenyl)-9-azabicyclo[4.2.1]non-2-ene is C(=Cc1ccccn1)C1=CCCC2CCC1N2.
What is the InChIKey of 2-(2-pyridin-2-ylethenyl)-9-azabicyclo[4.2.1]non-2-ene?
The InChIKey is UGLDPTWEUOJXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-2-11-16-13(5-1)8-7-12-4-3-6-14-9-10-15(12)17-14/h1-2,4-5,7-8,11,14-15,17H,3,6,9-10H2.
What are the key properties of 2-(2-pyridin-2-ylethenyl)-9-azabicyclo[4.2.1]non-2-ene?
2-(2-pyridin-2-ylethenyl)-9-azabicyclo[4.2.1]non-2-ene has a molecular weight of 226.32 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-2-ylethenyl)-9-azabicyclo[4.2.1]non-2-ene is sourced from PubChem (CID 70182870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).