2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanenitrile

C10H16N2O — CID 63764847

IUPAC2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanenitrile
SMILESCC(C#N)N1C2CCC1CC(O)C2
InChIInChI=1S/C10H16N2O/c1-7(6-11)12-8-2-3-9(12)5-10(13)4-8/h7-10,13H,2-5H2,1H3
InChIKeyINLHWGXKQHVWNI-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.89
Rot. Bonds1

About 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanenitrile

2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanenitrile (PubChem CID 63764847) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanenitrile.

Molecular Properties

Compound Name2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanenitrile
PubChem CID63764847
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanenitrile
SMILESCC(C#N)N1C2CCC1CC(O)C2
InChIInChI=1S/C10H16N2O/c1-7(6-11)12-8-2-3-9(12)5-10(13)4-8/h7-10,13H,2-5H2,1H3
InChIKeyINLHWGXKQHVWNI-UHFFFAOYSA-N
XLogP0.89
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanenitrile?
The IUPAC name of 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanenitrile (CID 63764847) is 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanenitrile.
What is the SMILES notation for 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanenitrile?
The canonical SMILES for 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanenitrile is CC(C#N)N1C2CCC1CC(O)C2.
What is the InChIKey of 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanenitrile?
The InChIKey is INLHWGXKQHVWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7(6-11)12-8-2-3-9(12)5-10(13)4-8/h7-10,13H,2-5H2,1H3.
What are the key properties of 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanenitrile?
2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanenitrile has a molecular weight of 180.25 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanenitrile is sourced from PubChem (CID 63764847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).