2-methylidene-1-azabicyclo[2.2.2]octane

C8H13N — CID 21476667

IUPAC2-methylidene-1-azabicyclo[2.2.2]octane
SMILESC=C1CC2CCN1CC2
InChIInChI=1S/C8H13N/c1-7-6-8-2-4-9(7)5-3-8/h8H,1-6H2
InChIKeyVZYFATPWYBVSAL-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.62
Rot. Bonds

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

2-methylidene-1-azabicyclo[2.2.2]octane (PubChem CID 21476667) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 2-methylidene-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name2-methylidene-1-azabicyclo[2.2.2]octane
PubChem CID21476667
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name2-methylidene-1-azabicyclo[2.2.2]octane
SMILESC=C1CC2CCN1CC2
InChIInChI=1S/C8H13N/c1-7-6-8-2-4-9(7)5-3-8/h8H,1-6H2
InChIKeyVZYFATPWYBVSAL-UHFFFAOYSA-N
XLogP1.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-1-azabicyclo[2.2.2]octane?
The IUPAC name of 2-methylidene-1-azabicyclo[2.2.2]octane (CID 21476667) is 2-methylidene-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for 2-methylidene-1-azabicyclo[2.2.2]octane?
The canonical SMILES for 2-methylidene-1-azabicyclo[2.2.2]octane is C=C1CC2CCN1CC2.
What is the InChIKey of 2-methylidene-1-azabicyclo[2.2.2]octane?
The InChIKey is VZYFATPWYBVSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-7-6-8-2-4-9(7)5-3-8/h8H,1-6H2.
What are the key properties of 2-methylidene-1-azabicyclo[2.2.2]octane?
2-methylidene-1-azabicyclo[2.2.2]octane has a molecular weight of 123.20 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 21476667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).