4-ethenyl-1-azabicyclo[3.2.1]octan-4-ol

C9H15NO — CID 105365721

IUPAC4-ethenyl-1-azabicyclo[3.2.1]octan-4-ol
SMILESC=CC1(O)CCN2CCC1C2
InChIInChI=1S/C9H15NO/c1-2-9(11)4-6-10-5-3-8(9)7-10/h2,8,11H,1,3-7H2
InChIKeyAOEXJWWFTKFBOA-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.63
Rot. Bonds1

About 4-ethenyl-1-azabicyclo[3.2.1]octan-4-ol

4-ethenyl-1-azabicyclo[3.2.1]octan-4-ol (PubChem CID 105365721) has the molecular formula C9H15NO and a molecular weight of 153.23 g/mol. Its IUPAC name is 4-ethenyl-1-azabicyclo[3.2.1]octan-4-ol.

Molecular Properties

Compound Name4-ethenyl-1-azabicyclo[3.2.1]octan-4-ol
PubChem CID105365721
Molecular FormulaC9H15NO
Molecular Weight153.23 g/mol
Exact Mass153.12
IUPAC Name4-ethenyl-1-azabicyclo[3.2.1]octan-4-ol
SMILESC=CC1(O)CCN2CCC1C2
InChIInChI=1S/C9H15NO/c1-2-9(11)4-6-10-5-3-8(9)7-10/h2,8,11H,1,3-7H2
InChIKeyAOEXJWWFTKFBOA-UHFFFAOYSA-N
XLogP0.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Prop-2-enyl-1-azabicyclo[3.2.1]octan-4-ol
CID 105365862
4-(2-Methylprop-1-enyl)-1-azabicyclo[3.2.1]octan-4-ol
CID 105365915
4-Prop-1-en-2-yl-1-azabicyclo[3.2.1]octan-4-ol
CID 105365956

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-azabicyclo[3.2.1]octan-4-ol?
The IUPAC name of 4-ethenyl-1-azabicyclo[3.2.1]octan-4-ol (CID 105365721) is 4-ethenyl-1-azabicyclo[3.2.1]octan-4-ol.
What is the SMILES notation for 4-ethenyl-1-azabicyclo[3.2.1]octan-4-ol?
The canonical SMILES for 4-ethenyl-1-azabicyclo[3.2.1]octan-4-ol is C=CC1(O)CCN2CCC1C2.
What is the InChIKey of 4-ethenyl-1-azabicyclo[3.2.1]octan-4-ol?
The InChIKey is AOEXJWWFTKFBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-9(11)4-6-10-5-3-8(9)7-10/h2,8,11H,1,3-7H2.
What are the key properties of 4-ethenyl-1-azabicyclo[3.2.1]octan-4-ol?
4-ethenyl-1-azabicyclo[3.2.1]octan-4-ol has a molecular weight of 153.23 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-azabicyclo[3.2.1]octan-4-ol is sourced from PubChem (CID 105365721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).