3-cyclobutylidene-8-azabicyclo[3.2.1]octane

C11H17N — CID 121209245

IUPAC3-cyclobutylidene-8-azabicyclo[3.2.1]octane
SMILESC1CC(=C2CC3CCC(C2)N3)C1
InChIInChI=1S/C11H17N/c1-2-8(3-1)9-6-10-4-5-11(7-9)12-10/h10-12H,1-7H2
InChIKeyJYCSSMZQYONJRL-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.38
Rot. Bonds

About 3-cyclobutylidene-8-azabicyclo[3.2.1]octane

3-cyclobutylidene-8-azabicyclo[3.2.1]octane (PubChem CID 121209245) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 3-cyclobutylidene-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-cyclobutylidene-8-azabicyclo[3.2.1]octane
PubChem CID121209245
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name3-cyclobutylidene-8-azabicyclo[3.2.1]octane
SMILESC1CC(=C2CC3CCC(C2)N3)C1
InChIInChI=1S/C11H17N/c1-2-8(3-1)9-6-10-4-5-11(7-9)12-10/h10-12H,1-7H2
InChIKeyJYCSSMZQYONJRL-UHFFFAOYSA-N
XLogP2.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutylidene-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-cyclobutylidene-8-azabicyclo[3.2.1]octane (CID 121209245) is 3-cyclobutylidene-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-cyclobutylidene-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-cyclobutylidene-8-azabicyclo[3.2.1]octane is C1CC(=C2CC3CCC(C2)N3)C1.
What is the InChIKey of 3-cyclobutylidene-8-azabicyclo[3.2.1]octane?
The InChIKey is JYCSSMZQYONJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-2-8(3-1)9-6-10-4-5-11(7-9)12-10/h10-12H,1-7H2.
What are the key properties of 3-cyclobutylidene-8-azabicyclo[3.2.1]octane?
3-cyclobutylidene-8-azabicyclo[3.2.1]octane has a molecular weight of 163.26 g/mol, XLogP of 2.38, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutylidene-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 121209245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).