[(3S)-4-azatricyclo[5.2.1.02,6]dec-8-en-3-yl]methanol

C10H15NO — CID 59664739

IUPAC[(3S)-4-azatricyclo[5.2.1.02,6]dec-8-en-3-yl]methanol
SMILESOCC1NCC2C3C=CC(C3)C12
InChIInChI=1S/C10H15NO/c12-5-9-10-7-2-1-6(3-7)8(10)4-11-9/h1-2,6-12H,3-5H2
InChIKeyZQFHSFBQHDWKIO-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.39
Rot. Bonds1

About [(3S)-4-azatricyclo[5.2.1.02,6]dec-8-en-3-yl]methanol

[(3S)-4-azatricyclo[5.2.1.02,6]dec-8-en-3-yl]methanol (PubChem CID 59664739) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is [(3S)-4-azatricyclo[5.2.1.02,6]dec-8-en-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-4-azatricyclo[5.2.1.02,6]dec-8-en-3-yl]methanol
PubChem CID59664739
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name[(3S)-4-azatricyclo[5.2.1.02,6]dec-8-en-3-yl]methanol
SMILESOCC1NCC2C3C=CC(C3)C12
InChIInChI=1S/C10H15NO/c12-5-9-10-7-2-1-6(3-7)8(10)4-11-9/h1-2,6-12H,3-5H2
InChIKeyZQFHSFBQHDWKIO-UHFFFAOYSA-N
XLogP0.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 [(3S)-4-azatricyclo[5.2.1.02,6]dec-8-en-3-yl]methanol?
The IUPAC name of [(3S)-4-azatricyclo[5.2.1.02,6]dec-8-en-3-yl]methanol (CID 59664739) is [(3S)-4-azatricyclo[5.2.1.02,6]dec-8-en-3-yl]methanol.
What is the SMILES notation for [(3S)-4-azatricyclo[5.2.1.02,6]dec-8-en-3-yl]methanol?
The canonical SMILES for [(3S)-4-azatricyclo[5.2.1.02,6]dec-8-en-3-yl]methanol is OCC1NCC2C3C=CC(C3)C12.
What is the InChIKey of [(3S)-4-azatricyclo[5.2.1.02,6]dec-8-en-3-yl]methanol?
The InChIKey is ZQFHSFBQHDWKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c12-5-9-10-7-2-1-6(3-7)8(10)4-11-9/h1-2,6-12H,3-5H2.
What are the key properties of [(3S)-4-azatricyclo[5.2.1.02,6]dec-8-en-3-yl]methanol?
[(3S)-4-azatricyclo[5.2.1.02,6]dec-8-en-3-yl]methanol has a molecular weight of 165.24 g/mol, XLogP of 0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-4-azatricyclo[5.2.1.02,6]dec-8-en-3-yl]methanol is sourced from PubChem (CID 59664739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).