(2Z,4S,5R)-5-ethyl-2-ethylidene-1-azabicyclo[2.2.2]octane

C11H19N — CID 122399452

IUPAC(2Z,4S,5R)-5-ethyl-2-ethylidene-1-azabicyclo[2.2.2]octane
SMILESC/C=C1/C[C@@H]2CCN1C[C@@H]2CC
InChIInChI=1S/C11H19N/c1-3-9-8-12-6-5-10(9)7-11(12)4-2/h4,9-10H,3,5-8H2,1-2H3/b11-4-/t9-,10-/m0/s1
InChIKeyABRZEWPNDHENPG-DKKOHOGUSA-N
MW165.28 g/mol
LogP2.64
Rot. Bonds1

About (2Z,4S,5R)-5-ethyl-2-ethylidene-1-azabicyclo[2.2.2]octane

(2Z,4S,5R)-5-ethyl-2-ethylidene-1-azabicyclo[2.2.2]octane (PubChem CID 122399452) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (2Z,4S,5R)-5-ethyl-2-ethylidene-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name(2Z,4S,5R)-5-ethyl-2-ethylidene-1-azabicyclo[2.2.2]octane
PubChem CID122399452
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(2Z,4S,5R)-5-ethyl-2-ethylidene-1-azabicyclo[2.2.2]octane
SMILESC/C=C1/C[C@@H]2CCN1C[C@@H]2CC
InChIInChI=1S/C11H19N/c1-3-9-8-12-6-5-10(9)7-11(12)4-2/h4,9-10H,3,5-8H2,1-2H3/b11-4-/t9-,10-/m0/s1
InChIKeyABRZEWPNDHENPG-DKKOHOGUSA-N
XLogP2.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2Z,4S,5R)-5-ethyl-2-ethylidene-1-azabicyclo[2.2.2]octane?
The IUPAC name of (2Z,4S,5R)-5-ethyl-2-ethylidene-1-azabicyclo[2.2.2]octane (CID 122399452) is (2Z,4S,5R)-5-ethyl-2-ethylidene-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for (2Z,4S,5R)-5-ethyl-2-ethylidene-1-azabicyclo[2.2.2]octane?
The canonical SMILES for (2Z,4S,5R)-5-ethyl-2-ethylidene-1-azabicyclo[2.2.2]octane is C/C=C1/C[C@@H]2CCN1C[C@@H]2CC.
What is the InChIKey of (2Z,4S,5R)-5-ethyl-2-ethylidene-1-azabicyclo[2.2.2]octane?
The InChIKey is ABRZEWPNDHENPG-DKKOHOGUSA-N. The full InChI is InChI=1S/C11H19N/c1-3-9-8-12-6-5-10(9)7-11(12)4-2/h4,9-10H,3,5-8H2,1-2H3/b11-4-/t9-,10-/m0/s1.
What are the key properties of (2Z,4S,5R)-5-ethyl-2-ethylidene-1-azabicyclo[2.2.2]octane?
(2Z,4S,5R)-5-ethyl-2-ethylidene-1-azabicyclo[2.2.2]octane has a molecular weight of 165.28 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4S,5R)-5-ethyl-2-ethylidene-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 122399452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).