4-azatricyclo[4.2.1.03,7]nonan-2-ol

C8H13NO — CID 54857251

IUPAC4-azatricyclo[4.2.1.03,7]nonan-2-ol
SMILESOC1C2CC3CNC1C3C2
InChIInChI=1S/C8H13NO/c10-8-4-1-5-3-9-7(8)6(5)2-4/h4-10H,1-3H2
InChIKeyWUBFQEYKZRPUHJ-UHFFFAOYSA-N
MW139.20 g/mol
LogP-0.02
Rot. Bonds

About 4-azatricyclo[4.2.1.03,7]nonan-2-ol

4-azatricyclo[4.2.1.03,7]nonan-2-ol (PubChem CID 54857251) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 4-azatricyclo[4.2.1.03,7]nonan-2-ol.

Molecular Properties

Compound Name4-azatricyclo[4.2.1.03,7]nonan-2-ol
PubChem CID54857251
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name4-azatricyclo[4.2.1.03,7]nonan-2-ol
SMILESOC1C2CC3CNC1C3C2
InChIInChI=1S/C8H13NO/c10-8-4-1-5-3-9-7(8)6(5)2-4/h4-10H,1-3H2
InChIKeyWUBFQEYKZRPUHJ-UHFFFAOYSA-N
XLogP-0.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-azatricyclo[4.2.1.03,7]nonan-2-ol?
The IUPAC name of 4-azatricyclo[4.2.1.03,7]nonan-2-ol (CID 54857251) is 4-azatricyclo[4.2.1.03,7]nonan-2-ol.
What is the SMILES notation for 4-azatricyclo[4.2.1.03,7]nonan-2-ol?
The canonical SMILES for 4-azatricyclo[4.2.1.03,7]nonan-2-ol is OC1C2CC3CNC1C3C2.
What is the InChIKey of 4-azatricyclo[4.2.1.03,7]nonan-2-ol?
The InChIKey is WUBFQEYKZRPUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c10-8-4-1-5-3-9-7(8)6(5)2-4/h4-10H,1-3H2.
What are the key properties of 4-azatricyclo[4.2.1.03,7]nonan-2-ol?
4-azatricyclo[4.2.1.03,7]nonan-2-ol has a molecular weight of 139.20 g/mol, XLogP of -0.02, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azatricyclo[4.2.1.03,7]nonan-2-ol is sourced from PubChem (CID 54857251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).