2-prop-2-enyl-2-azabicyclo[3.3.1]nonane

C11H19N — CID 10176282

IUPAC2-prop-2-enyl-2-azabicyclo[3.3.1]nonane
SMILESC=CCN1CCC2CCCC1C2
InChIInChI=1S/C11H19N/c1-2-7-12-8-6-10-4-3-5-11(12)9-10/h2,10-11H,1,3-9H2
InChIKeyGKAMBLDKULISOB-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.44
Rot. Bonds2

About 2-prop-2-enyl-2-azabicyclo[3.3.1]nonane

2-prop-2-enyl-2-azabicyclo[3.3.1]nonane (PubChem CID 10176282) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2-prop-2-enyl-2-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name2-prop-2-enyl-2-azabicyclo[3.3.1]nonane
PubChem CID10176282
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2-prop-2-enyl-2-azabicyclo[3.3.1]nonane
SMILESC=CCN1CCC2CCCC1C2
InChIInChI=1S/C11H19N/c1-2-7-12-8-6-10-4-3-5-11(12)9-10/h2,10-11H,1,3-9H2
InChIKeyGKAMBLDKULISOB-UHFFFAOYSA-N
XLogP2.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.44
H-Bond Donors ≤ 50
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 2-prop-2-enyl-2-azabicyclo[3.3.1]nonane?
The IUPAC name of 2-prop-2-enyl-2-azabicyclo[3.3.1]nonane (CID 10176282) is 2-prop-2-enyl-2-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 2-prop-2-enyl-2-azabicyclo[3.3.1]nonane?
The canonical SMILES for 2-prop-2-enyl-2-azabicyclo[3.3.1]nonane is C=CCN1CCC2CCCC1C2.
What is the InChIKey of 2-prop-2-enyl-2-azabicyclo[3.3.1]nonane?
The InChIKey is GKAMBLDKULISOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-2-7-12-8-6-10-4-3-5-11(12)9-10/h2,10-11H,1,3-9H2.
What are the key properties of 2-prop-2-enyl-2-azabicyclo[3.3.1]nonane?
2-prop-2-enyl-2-azabicyclo[3.3.1]nonane has a molecular weight of 165.28 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-2-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 10176282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).