4-azatricyclo[4.3.1.13,8]undecan-2-ol

C10H17NO — CID 12518461

IUPAC4-azatricyclo[4.3.1.13,8]undecan-2-ol
SMILESOC1C2CC3CNC1CC(C3)C2
InChIInChI=1S/C10H17NO/c12-10-8-2-6-1-7(3-8)5-11-9(10)4-6/h6-12H,1-5H2
InChIKeyFEZAXXZQPIJIRJ-UHFFFAOYSA-N
MW167.25 g/mol
LogP0.76
Rot. Bonds

About 4-azatricyclo[4.3.1.13,8]undecan-2-ol

4-azatricyclo[4.3.1.13,8]undecan-2-ol (PubChem CID 12518461) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 4-azatricyclo[4.3.1.13,8]undecan-2-ol.

Molecular Properties

Compound Name4-azatricyclo[4.3.1.13,8]undecan-2-ol
PubChem CID12518461
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name4-azatricyclo[4.3.1.13,8]undecan-2-ol
SMILESOC1C2CC3CNC1CC(C3)C2
InChIInChI=1S/C10H17NO/c12-10-8-2-6-1-7(3-8)5-11-9(10)4-6/h6-12H,1-5H2
InChIKeyFEZAXXZQPIJIRJ-UHFFFAOYSA-N
XLogP0.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-azatricyclo[4.3.1.13,8]undecan-2-ol?
The IUPAC name of 4-azatricyclo[4.3.1.13,8]undecan-2-ol (CID 12518461) is 4-azatricyclo[4.3.1.13,8]undecan-2-ol.
What is the SMILES notation for 4-azatricyclo[4.3.1.13,8]undecan-2-ol?
The canonical SMILES for 4-azatricyclo[4.3.1.13,8]undecan-2-ol is OC1C2CC3CNC1CC(C3)C2.
What is the InChIKey of 4-azatricyclo[4.3.1.13,8]undecan-2-ol?
The InChIKey is FEZAXXZQPIJIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c12-10-8-2-6-1-7(3-8)5-11-9(10)4-6/h6-12H,1-5H2.
What are the key properties of 4-azatricyclo[4.3.1.13,8]undecan-2-ol?
4-azatricyclo[4.3.1.13,8]undecan-2-ol has a molecular weight of 167.25 g/mol, XLogP of 0.76, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azatricyclo[4.3.1.13,8]undecan-2-ol is sourced from PubChem (CID 12518461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).