8-but-2-enyl-8-azabicyclo[3.2.1]octan-3-ol

C11H19NO — CID 76974863

IUPAC8-but-2-enyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC=CCN1C2CCC1CC(O)C2
InChIInChI=1S/C11H19NO/c1-2-3-6-12-9-4-5-10(12)8-11(13)7-9/h2-3,9-11,13H,4-8H2,1H3
InChIKeyAAWMBRDFOUTPSQ-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.55
Rot. Bonds2

About 8-but-2-enyl-8-azabicyclo[3.2.1]octan-3-ol

8-but-2-enyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 76974863) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 8-but-2-enyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-but-2-enyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID76974863
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name8-but-2-enyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC=CCN1C2CCC1CC(O)C2
InChIInChI=1S/C11H19NO/c1-2-3-6-12-9-4-5-10(12)8-11(13)7-9/h2-3,9-11,13H,4-8H2,1H3
InChIKeyAAWMBRDFOUTPSQ-UHFFFAOYSA-N
XLogP1.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-but-2-enyl-8-azabicyclo[3.2.1]octan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-but-2-enyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-but-2-enyl-8-azabicyclo[3.2.1]octan-3-ol (CID 76974863) is 8-but-2-enyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-but-2-enyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-but-2-enyl-8-azabicyclo[3.2.1]octan-3-ol is CC=CCN1C2CCC1CC(O)C2.
What is the InChIKey of 8-but-2-enyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is AAWMBRDFOUTPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-2-3-6-12-9-4-5-10(12)8-11(13)7-9/h2-3,9-11,13H,4-8H2,1H3.
What are the key properties of 8-but-2-enyl-8-azabicyclo[3.2.1]octan-3-ol?
8-but-2-enyl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 181.28 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-but-2-enyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 76974863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).