2-(2-hydroxy-8-oxabicyclo[3.2.1]octan-2-yl)-2-methylpropanenitrile

C11H17NO2 — CID 130802685

IUPAC2-(2-hydroxy-8-oxabicyclo[3.2.1]octan-2-yl)-2-methylpropanenitrile
SMILESCC(C)(C#N)C1(O)CCC2CCC1O2
InChIInChI=1S/C11H17NO2/c1-10(2,7-12)11(13)6-5-8-3-4-9(11)14-8/h8-9,13H,3-6H2,1-2H3
InChIKeyWEOBGNNBZPYDSH-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.61
Rot. Bonds1

About 2-(2-hydroxy-8-oxabicyclo[3.2.1]octan-2-yl)-2-methylpropanenitrile

2-(2-hydroxy-8-oxabicyclo[3.2.1]octan-2-yl)-2-methylpropanenitrile (PubChem CID 130802685) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-(2-hydroxy-8-oxabicyclo[3.2.1]octan-2-yl)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(2-hydroxy-8-oxabicyclo[3.2.1]octan-2-yl)-2-methylpropanenitrile
PubChem CID130802685
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-(2-hydroxy-8-oxabicyclo[3.2.1]octan-2-yl)-2-methylpropanenitrile
SMILESCC(C)(C#N)C1(O)CCC2CCC1O2
InChIInChI=1S/C11H17NO2/c1-10(2,7-12)11(13)6-5-8-3-4-9(11)14-8/h8-9,13H,3-6H2,1-2H3
InChIKeyWEOBGNNBZPYDSH-UHFFFAOYSA-N
XLogP1.61
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-8-oxabicyclo[3.2.1]octan-2-yl)-2-methylpropanenitrile?
The IUPAC name of 2-(2-hydroxy-8-oxabicyclo[3.2.1]octan-2-yl)-2-methylpropanenitrile (CID 130802685) is 2-(2-hydroxy-8-oxabicyclo[3.2.1]octan-2-yl)-2-methylpropanenitrile.
What is the SMILES notation for 2-(2-hydroxy-8-oxabicyclo[3.2.1]octan-2-yl)-2-methylpropanenitrile?
The canonical SMILES for 2-(2-hydroxy-8-oxabicyclo[3.2.1]octan-2-yl)-2-methylpropanenitrile is CC(C)(C#N)C1(O)CCC2CCC1O2.
What is the InChIKey of 2-(2-hydroxy-8-oxabicyclo[3.2.1]octan-2-yl)-2-methylpropanenitrile?
The InChIKey is WEOBGNNBZPYDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-10(2,7-12)11(13)6-5-8-3-4-9(11)14-8/h8-9,13H,3-6H2,1-2H3.
What are the key properties of 2-(2-hydroxy-8-oxabicyclo[3.2.1]octan-2-yl)-2-methylpropanenitrile?
2-(2-hydroxy-8-oxabicyclo[3.2.1]octan-2-yl)-2-methylpropanenitrile has a molecular weight of 195.26 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-8-oxabicyclo[3.2.1]octan-2-yl)-2-methylpropanenitrile is sourced from PubChem (CID 130802685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).