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

C11H18N2O — CID 171952392

IUPAC3-(3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanenitrile
SMILESCN1C2CCC1CC(O)(CCC#N)C2
InChIInChI=1S/C11H18N2O/c1-13-9-3-4-10(13)8-11(14,7-9)5-2-6-12/h9-10,14H,2-5,7-8H2,1H3
InChIKeyWRPVTDQPPYLMKW-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.28
Rot. Bonds2

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

3-(3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanenitrile (PubChem CID 171952392) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-(3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanenitrile.

Molecular Properties

Compound Name3-(3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanenitrile
PubChem CID171952392
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-(3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanenitrile
SMILESCN1C2CCC1CC(O)(CCC#N)C2
InChIInChI=1S/C11H18N2O/c1-13-9-3-4-10(13)8-11(14,7-9)5-2-6-12/h9-10,14H,2-5,7-8H2,1H3
InChIKeyWRPVTDQPPYLMKW-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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Related Compounds

3-(7-hydroxy-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)propanenitrile
CID 171952411
3-but-3-ynyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171952605
8-methyl-3-pentadecyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171953542
3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 535477
9-methyl-3-propyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171953156
3-(3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)propanenitrile
CID 171952391
3-dec-9-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171955867
(1R,5R)-8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol
CID 7223736
9-methyl-3-pentyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171952833
3-(3,3-dimethoxypropyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171964213
8-methyl-3-(2-phenoxyethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171961165
3-[2-(2-methoxyethoxy)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171964163

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanenitrile?
The IUPAC name of 3-(3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanenitrile (CID 171952392) is 3-(3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanenitrile.
What is the SMILES notation for 3-(3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanenitrile?
The canonical SMILES for 3-(3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanenitrile is CN1C2CCC1CC(O)(CCC#N)C2.
What is the InChIKey of 3-(3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanenitrile?
The InChIKey is WRPVTDQPPYLMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-13-9-3-4-10(13)8-11(14,7-9)5-2-6-12/h9-10,14H,2-5,7-8H2,1H3.
What are the key properties of 3-(3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanenitrile?
3-(3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanenitrile 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 3-(3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanenitrile is sourced from PubChem (CID 171952392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).