2-ethylidene-1-azabicyclo[2.2.2]octane

C9H15N — CID 131854094

IUPAC2-ethylidene-1-azabicyclo[2.2.2]octane
SMILESCC=C1CC2CCN1CC2
InChIInChI=1S/C9H15N/c1-2-9-7-8-3-5-10(9)6-4-8/h2,8H,3-7H2,1H3
InChIKeyAQGZXMJJUDMGOF-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.01
Rot. Bonds

About 2-ethylidene-1-azabicyclo[2.2.2]octane

2-ethylidene-1-azabicyclo[2.2.2]octane (PubChem CID 131854094) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 2-ethylidene-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name2-ethylidene-1-azabicyclo[2.2.2]octane
PubChem CID131854094
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name2-ethylidene-1-azabicyclo[2.2.2]octane
SMILESCC=C1CC2CCN1CC2
InChIInChI=1S/C9H15N/c1-2-9-7-8-3-5-10(9)6-4-8/h2,8H,3-7H2,1H3
InChIKeyAQGZXMJJUDMGOF-UHFFFAOYSA-N
XLogP2.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethylidene-1-azabicyclo[2.2.2]octane?
The IUPAC name of 2-ethylidene-1-azabicyclo[2.2.2]octane (CID 131854094) is 2-ethylidene-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for 2-ethylidene-1-azabicyclo[2.2.2]octane?
The canonical SMILES for 2-ethylidene-1-azabicyclo[2.2.2]octane is CC=C1CC2CCN1CC2.
What is the InChIKey of 2-ethylidene-1-azabicyclo[2.2.2]octane?
The InChIKey is AQGZXMJJUDMGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-2-9-7-8-3-5-10(9)6-4-8/h2,8H,3-7H2,1H3.
What are the key properties of 2-ethylidene-1-azabicyclo[2.2.2]octane?
2-ethylidene-1-azabicyclo[2.2.2]octane has a molecular weight of 137.23 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylidene-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 131854094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).