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

C11H18N2O — CID 63764151

IUPAC2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butanenitrile
SMILESCCC(C#N)N1C2CCC1CC(O)C2
InChIInChI=1S/C11H18N2O/c1-2-8(7-12)13-9-3-4-10(13)6-11(14)5-9/h8-11,14H,2-6H2,1H3
InChIKeySHJMQRABGRZRMP-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.28
Rot. Bonds2

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

2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butanenitrile (PubChem CID 63764151) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butanenitrile.

Molecular Properties

Compound Name2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butanenitrile
PubChem CID63764151
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butanenitrile
SMILESCCC(C#N)N1C2CCC1CC(O)C2
InChIInChI=1S/C11H18N2O/c1-2-8(7-12)13-9-3-4-10(13)6-11(14)5-9/h8-11,14H,2-6H2,1H3
InChIKeySHJMQRABGRZRMP-UHFFFAOYSA-N
XLogP1.28
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.28
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)butanenitrile?
The IUPAC name of 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butanenitrile (CID 63764151) is 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butanenitrile.
What is the SMILES notation for 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butanenitrile?
The canonical SMILES for 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butanenitrile is CCC(C#N)N1C2CCC1CC(O)C2.
What is the InChIKey of 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butanenitrile?
The InChIKey is SHJMQRABGRZRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-2-8(7-12)13-9-3-4-10(13)6-11(14)5-9/h8-11,14H,2-6H2,1H3.
What are the key properties of 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butanenitrile?
2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butanenitrile has a molecular weight of 194.28 g/mol, XLogP of 1.28, 2 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)butanenitrile is sourced from PubChem (CID 63764151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).