3-pyridin-3-yl-8-azabicyclo[4.3.1]dec-3-ene

C14H18N2 — CID 57485534

IUPAC3-pyridin-3-yl-8-azabicyclo[4.3.1]dec-3-ene
SMILESC1=C(c2cccnc2)CC2CNCC(C1)C2
InChIInChI=1S/C14H18N2/c1-2-14(10-15-5-1)13-4-3-11-6-12(7-13)9-16-8-11/h1-2,4-5,10-12,16H,3,6-9H2
InChIKeyCZRIVHUTNYCSTA-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.48
Rot. Bonds1

About 3-pyridin-3-yl-8-azabicyclo[4.3.1]dec-3-ene

3-pyridin-3-yl-8-azabicyclo[4.3.1]dec-3-ene (PubChem CID 57485534) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-pyridin-3-yl-8-azabicyclo[4.3.1]dec-3-ene.

Molecular Properties

Compound Name3-pyridin-3-yl-8-azabicyclo[4.3.1]dec-3-ene
PubChem CID57485534
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name3-pyridin-3-yl-8-azabicyclo[4.3.1]dec-3-ene
SMILESC1=C(c2cccnc2)CC2CNCC(C1)C2
InChIInChI=1S/C14H18N2/c1-2-14(10-15-5-1)13-4-3-11-6-12(7-13)9-16-8-11/h1-2,4-5,10-12,16H,3,6-9H2
InChIKeyCZRIVHUTNYCSTA-UHFFFAOYSA-N
XLogP2.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-pyridin-3-yl-3-azabicyclo[3.3.1]non-6-ene
CID 57485529
6-(5-phenoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
CID 57486305
[(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-pyridin-3-ylmethanone
CID 72698066
6-pyridin-3-yl-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene
CID 138699114
6-pyridin-3-yl-3-azabicyclo[3.3.1]nonane
CID 57485543
7-(6-chloro-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
CID 57486336
9-pyridin-3-yl-4-azabicyclo[5.3.1]undecane
CID 57485548
cyclopenta[c]azepine
CID 638010
5-(azetidin-3-yl)-4-methyl-2-pyridin-3-yl-1,3-thiazole
CID 116885014
3,7-diazabicyclo[3.3.1]nonan-3-yl-(6-pyridin-3-ylcyclohex-3-en-1-yl)methanone
CID 58201413
3-azulen-6-ylpyridine
CID 86232079
(1S)-9-methyl-3-pyridin-3-yl-9-azabicyclo[3.3.1]non-2-ene
CID 21337396

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-8-azabicyclo[4.3.1]dec-3-ene?
The IUPAC name of 3-pyridin-3-yl-8-azabicyclo[4.3.1]dec-3-ene (CID 57485534) is 3-pyridin-3-yl-8-azabicyclo[4.3.1]dec-3-ene.
What is the SMILES notation for 3-pyridin-3-yl-8-azabicyclo[4.3.1]dec-3-ene?
The canonical SMILES for 3-pyridin-3-yl-8-azabicyclo[4.3.1]dec-3-ene is C1=C(c2cccnc2)CC2CNCC(C1)C2.
What is the InChIKey of 3-pyridin-3-yl-8-azabicyclo[4.3.1]dec-3-ene?
The InChIKey is CZRIVHUTNYCSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-2-14(10-15-5-1)13-4-3-11-6-12(7-13)9-16-8-11/h1-2,4-5,10-12,16H,3,6-9H2.
What are the key properties of 3-pyridin-3-yl-8-azabicyclo[4.3.1]dec-3-ene?
3-pyridin-3-yl-8-azabicyclo[4.3.1]dec-3-ene has a molecular weight of 214.31 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-8-azabicyclo[4.3.1]dec-3-ene is sourced from PubChem (CID 57485534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).