8-(2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol

C11H19NO — CID 63768172

IUPAC8-(2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESC=C(C)CN1C2CCC1CC(O)C2
InChIInChI=1S/C11H19NO/c1-8(2)7-12-9-3-4-10(12)6-11(13)5-9/h9-11,13H,1,3-7H2,2H3
InChIKeySGFXMJLQKZDPSN-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.55
Rot. Bonds2

About 8-(2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol

8-(2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63768172) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 8-(2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63768172
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name8-(2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESC=C(C)CN1C2CCC1CC(O)C2
InChIInChI=1S/C11H19NO/c1-8(2)7-12-9-3-4-10(12)6-11(13)5-9/h9-11,13H,1,3-7H2,2H3
InChIKeySGFXMJLQKZDPSN-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-(2-methylprop-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-(2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 63768172) is 8-(2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol is C=C(C)CN1C2CCC1CC(O)C2.
What is the InChIKey of 8-(2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is SGFXMJLQKZDPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-8(2)7-12-9-3-4-10(12)6-11(13)5-9/h9-11,13H,1,3-7H2,2H3.
What are the key properties of 8-(2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(2-methylprop-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-(2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63768172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).