1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)propan-2-ol

C11H19NO — CID 130667681

IUPAC1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)propan-2-ol
SMILESCC(O)CN1CC2C3CCC(C3)C21
InChIInChI=1S/C11H19NO/c1-7(13)5-12-6-10-8-2-3-9(4-8)11(10)12/h7-11,13H,2-6H2,1H3
InChIKeyFEJGDBPUNGKGLY-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.10
Rot. Bonds2

About 1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)propan-2-ol

1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)propan-2-ol (PubChem CID 130667681) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)propan-2-ol
PubChem CID130667681
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)propan-2-ol
SMILESCC(O)CN1CC2C3CCC(C3)C21
InChIInChI=1S/C11H19NO/c1-7(13)5-12-6-10-8-2-3-9(4-8)11(10)12/h7-11,13H,2-6H2,1H3
InChIKeyFEJGDBPUNGKGLY-UHFFFAOYSA-N
XLogP1.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)propan-2-ol?
The IUPAC name of 1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)propan-2-ol (CID 130667681) is 1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)propan-2-ol.
What is the SMILES notation for 1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)propan-2-ol?
The canonical SMILES for 1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)propan-2-ol is CC(O)CN1CC2C3CCC(C3)C21.
What is the InChIKey of 1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)propan-2-ol?
The InChIKey is FEJGDBPUNGKGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-7(13)5-12-6-10-8-2-3-9(4-8)11(10)12/h7-11,13H,2-6H2,1H3.
What are the key properties of 1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)propan-2-ol?
1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)propan-2-ol has a molecular weight of 181.28 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)propan-2-ol is sourced from PubChem (CID 130667681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).