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

C10H16N2O — CID 171952391

IUPAC3-(3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)propanenitrile
SMILESN#CCCC1(O)CC2CCC(C1)N2
InChIInChI=1S/C10H16N2O/c11-5-1-4-10(13)6-8-2-3-9(7-10)12-8/h8-9,12-13H,1-4,6-7H2
InChIKeyYPXBRFMTPAQWPI-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.94
Rot. Bonds2

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

3-(3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)propanenitrile (PubChem CID 171952391) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)propanenitrile.

Molecular Properties

Compound Name3-(3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)propanenitrile
PubChem CID171952391
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-(3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)propanenitrile
SMILESN#CCCC1(O)CC2CCC(C1)N2
InChIInChI=1S/C10H16N2O/c11-5-1-4-10(13)6-8-2-3-9(7-10)12-8/h8-9,12-13H,1-4,6-7H2
InChIKeyYPXBRFMTPAQWPI-UHFFFAOYSA-N
XLogP0.94
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)propanenitrile?
The IUPAC name of 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)propanenitrile (CID 171952391) is 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)propanenitrile.
What is the SMILES notation for 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)propanenitrile?
The canonical SMILES for 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)propanenitrile is N#CCCC1(O)CC2CCC(C1)N2.
What is the InChIKey of 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)propanenitrile?
The InChIKey is YPXBRFMTPAQWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c11-5-1-4-10(13)6-8-2-3-9(7-10)12-8/h8-9,12-13H,1-4,6-7H2.
What are the key properties of 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)propanenitrile?
3-(3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)propanenitrile has a molecular weight of 180.25 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)propanenitrile is sourced from PubChem (CID 171952391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).