[(1S,7R,9S)-4-azatricyclo[4.2.1.03,7]nonan-9-yl]methanol

C9H15NO — CID 131954459

IUPAC[(1S,7R,9S)-4-azatricyclo[4.2.1.03,7]nonan-9-yl]methanol
SMILESOC[C@@H]1C2CNC3C[C@@H]1C[C@@H]32
InChIInChI=1S/C9H15NO/c11-4-8-5-1-6-7(8)3-10-9(6)2-5/h5-11H,1-4H2/t5-,6+,7?,8-,9?/m0/s1
InChIKeyIVYPWVYKYLTMGJ-XTSARKNJSA-N
MW153.22 g/mol
LogP0.22
Rot. Bonds1

About [(1S,7R,9S)-4-azatricyclo[4.2.1.03,7]nonan-9-yl]methanol

[(1S,7R,9S)-4-azatricyclo[4.2.1.03,7]nonan-9-yl]methanol (PubChem CID 131954459) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is [(1S,7R,9S)-4-azatricyclo[4.2.1.03,7]nonan-9-yl]methanol.

Molecular Properties

Compound Name[(1S,7R,9S)-4-azatricyclo[4.2.1.03,7]nonan-9-yl]methanol
PubChem CID131954459
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name[(1S,7R,9S)-4-azatricyclo[4.2.1.03,7]nonan-9-yl]methanol
SMILESOC[C@@H]1C2CNC3C[C@@H]1C[C@@H]32
InChIInChI=1S/C9H15NO/c11-4-8-5-1-6-7(8)3-10-9(6)2-5/h5-11H,1-4H2/t5-,6+,7?,8-,9?/m0/s1
InChIKeyIVYPWVYKYLTMGJ-XTSARKNJSA-N
XLogP0.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1S,7R,9S)-4-azatricyclo[4.2.1.03,7]nonan-9-yl]methanol 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 [(1S,7R,9S)-4-azatricyclo[4.2.1.03,7]nonan-9-yl]methanol?
The IUPAC name of [(1S,7R,9S)-4-azatricyclo[4.2.1.03,7]nonan-9-yl]methanol (CID 131954459) is [(1S,7R,9S)-4-azatricyclo[4.2.1.03,7]nonan-9-yl]methanol.
What is the SMILES notation for [(1S,7R,9S)-4-azatricyclo[4.2.1.03,7]nonan-9-yl]methanol?
The canonical SMILES for [(1S,7R,9S)-4-azatricyclo[4.2.1.03,7]nonan-9-yl]methanol is OC[C@@H]1C2CNC3C[C@@H]1C[C@@H]32.
What is the InChIKey of [(1S,7R,9S)-4-azatricyclo[4.2.1.03,7]nonan-9-yl]methanol?
The InChIKey is IVYPWVYKYLTMGJ-XTSARKNJSA-N. The full InChI is InChI=1S/C9H15NO/c11-4-8-5-1-6-7(8)3-10-9(6)2-5/h5-11H,1-4H2/t5-,6+,7?,8-,9?/m0/s1.
What are the key properties of [(1S,7R,9S)-4-azatricyclo[4.2.1.03,7]nonan-9-yl]methanol?
[(1S,7R,9S)-4-azatricyclo[4.2.1.03,7]nonan-9-yl]methanol has a molecular weight of 153.22 g/mol, XLogP of 0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,7R,9S)-4-azatricyclo[4.2.1.03,7]nonan-9-yl]methanol is sourced from PubChem (CID 131954459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).