(3Z)-3-benzylidene-1-azabicyclo[2.2.2]octane

C14H17N — CID 5364095

IUPAC(3Z)-3-benzylidene-1-azabicyclo[2.2.2]octane
SMILESC(=C1\CN2CCC1CC2)\c1ccccc1
InChIInChI=1S/C14H17N/c1-2-4-12(5-3-1)10-14-11-15-8-6-13(14)7-9-15/h1-5,10,13H,6-9,11H2/b14-10+
InChIKeyULHUYFVJQMXTQV-GXDHUFHOSA-N
MW199.30 g/mol
LogP2.80
Rot. Bonds1

About (3Z)-3-benzylidene-1-azabicyclo[2.2.2]octane

(3Z)-3-benzylidene-1-azabicyclo[2.2.2]octane (PubChem CID 5364095) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is (3Z)-3-benzylidene-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name(3Z)-3-benzylidene-1-azabicyclo[2.2.2]octane
PubChem CID5364095
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name(3Z)-3-benzylidene-1-azabicyclo[2.2.2]octane
SMILESC(=C1\CN2CCC1CC2)\c1ccccc1
InChIInChI=1S/C14H17N/c1-2-4-12(5-3-1)10-14-11-15-8-6-13(14)7-9-15/h1-5,10,13H,6-9,11H2/b14-10+
InChIKeyULHUYFVJQMXTQV-GXDHUFHOSA-N
XLogP2.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3-Phenylquinuclidine
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1-(3-Phenyl-2-propyn-1-yl)piperidine
CID 200711
1,1-Dimethyl-4-phenylpiperidin-1-ium iodide
CID 202330
1-Benzylpiperidine
CID 76190
3-(4-Phenylphenyl)-1-azabicyclo[2.2.2]octane
CID 9795241
3-((E)-2-(4-Phenylphenyl)ethenyl)-1-azabicyclo(2.2.2)octane
CID 19077549
3-[2-(4-Phenylphenyl)ethyl]-1-azabicyclo[2.2.2]octane
CID 19077556
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CID 23169640

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-benzylidene-1-azabicyclo[2.2.2]octane?
The IUPAC name of (3Z)-3-benzylidene-1-azabicyclo[2.2.2]octane (CID 5364095) is (3Z)-3-benzylidene-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for (3Z)-3-benzylidene-1-azabicyclo[2.2.2]octane?
The canonical SMILES for (3Z)-3-benzylidene-1-azabicyclo[2.2.2]octane is C(=C1\CN2CCC1CC2)\c1ccccc1.
What is the InChIKey of (3Z)-3-benzylidene-1-azabicyclo[2.2.2]octane?
The InChIKey is ULHUYFVJQMXTQV-GXDHUFHOSA-N. The full InChI is InChI=1S/C14H17N/c1-2-4-12(5-3-1)10-14-11-15-8-6-13(14)7-9-15/h1-5,10,13H,6-9,11H2/b14-10+.
What are the key properties of (3Z)-3-benzylidene-1-azabicyclo[2.2.2]octane?
(3Z)-3-benzylidene-1-azabicyclo[2.2.2]octane has a molecular weight of 199.30 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-benzylidene-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 5364095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).