2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]propanenitrile

C13H15NO2 — CID 60730702

IUPAC2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]propanenitrile
SMILESCC(C#N)Oc1cccc2c1CCCC2O
InChIInChI=1S/C13H15NO2/c1-9(8-14)16-13-7-3-4-10-11(13)5-2-6-12(10)15/h3-4,7,9,12,15H,2,5-6H2,1H3
InChIKeyIABREEIUQCKECV-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.35
Rot. Bonds2

About 2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]propanenitrile

2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]propanenitrile (PubChem CID 60730702) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]propanenitrile.

Molecular Properties

Compound Name2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]propanenitrile
PubChem CID60730702
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]propanenitrile
SMILESCC(C#N)Oc1cccc2c1CCCC2O
InChIInChI=1S/C13H15NO2/c1-9(8-14)16-13-7-3-4-10-11(13)5-2-6-12(10)15/h3-4,7,9,12,15H,2,5-6H2,1H3
InChIKeyIABREEIUQCKECV-UHFFFAOYSA-N
XLogP2.35
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]propanenitrile?
The IUPAC name of 2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]propanenitrile (CID 60730702) is 2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]propanenitrile.
What is the SMILES notation for 2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]propanenitrile?
The canonical SMILES for 2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]propanenitrile is CC(C#N)Oc1cccc2c1CCCC2O.
What is the InChIKey of 2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]propanenitrile?
The InChIKey is IABREEIUQCKECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9(8-14)16-13-7-3-4-10-11(13)5-2-6-12(10)15/h3-4,7,9,12,15H,2,5-6H2,1H3.
What are the key properties of 2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]propanenitrile?
2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]propanenitrile has a molecular weight of 217.27 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]propanenitrile is sourced from PubChem (CID 60730702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).