1-azatricyclo[3.3.1.03,7]nonan-5-ol

C8H13NO — CID 88987466

IUPAC1-azatricyclo[3.3.1.03,7]nonan-5-ol
SMILESOC12CC3CN(CC3C1)C2
InChIInChI=1S/C8H13NO/c10-8-1-6-3-9(5-8)4-7(6)2-8/h6-7,10H,1-5H2
InChIKeyHKWZHRMZNRUNFR-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.07
Rot. Bonds

About 1-azatricyclo[3.3.1.03,7]nonan-5-ol

1-azatricyclo[3.3.1.03,7]nonan-5-ol (PubChem CID 88987466) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-azatricyclo[3.3.1.03,7]nonan-5-ol.

Molecular Properties

Compound Name1-azatricyclo[3.3.1.03,7]nonan-5-ol
PubChem CID88987466
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-azatricyclo[3.3.1.03,7]nonan-5-ol
SMILESOC12CC3CN(CC3C1)C2
InChIInChI=1S/C8H13NO/c10-8-1-6-3-9(5-8)4-7(6)2-8/h6-7,10H,1-5H2
InChIKeyHKWZHRMZNRUNFR-UHFFFAOYSA-N
XLogP0.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-azatricyclo[3.3.1.03,7]nonan-5-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 1-azatricyclo[3.3.1.03,7]nonan-5-ol?
The IUPAC name of 1-azatricyclo[3.3.1.03,7]nonan-5-ol (CID 88987466) is 1-azatricyclo[3.3.1.03,7]nonan-5-ol.
What is the SMILES notation for 1-azatricyclo[3.3.1.03,7]nonan-5-ol?
The canonical SMILES for 1-azatricyclo[3.3.1.03,7]nonan-5-ol is OC12CC3CN(CC3C1)C2.
What is the InChIKey of 1-azatricyclo[3.3.1.03,7]nonan-5-ol?
The InChIKey is HKWZHRMZNRUNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c10-8-1-6-3-9(5-8)4-7(6)2-8/h6-7,10H,1-5H2.
What are the key properties of 1-azatricyclo[3.3.1.03,7]nonan-5-ol?
1-azatricyclo[3.3.1.03,7]nonan-5-ol has a molecular weight of 139.20 g/mol, XLogP of 0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azatricyclo[3.3.1.03,7]nonan-5-ol is sourced from PubChem (CID 88987466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).