2-(1-hydroxy-2,2-dimethylcyclopentyl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile

C14H21NO2 — CID 79863326

IUPAC2-(1-hydroxy-2,2-dimethylcyclopentyl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile
SMILESCC1(C)CCCC1(O)C1(C#N)CC2CCC1O2
InChIInChI=1S/C14H21NO2/c1-12(2)6-3-7-14(12,16)13(9-15)8-10-4-5-11(13)17-10/h10-11,16H,3-8H2,1-2H3
InChIKeyLGPGBWVLMWUPOP-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.39
Rot. Bonds1

About 2-(1-hydroxy-2,2-dimethylcyclopentyl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile

2-(1-hydroxy-2,2-dimethylcyclopentyl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile (PubChem CID 79863326) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(1-hydroxy-2,2-dimethylcyclopentyl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile.

Molecular Properties

Compound Name2-(1-hydroxy-2,2-dimethylcyclopentyl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile
PubChem CID79863326
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(1-hydroxy-2,2-dimethylcyclopentyl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile
SMILESCC1(C)CCCC1(O)C1(C#N)CC2CCC1O2
InChIInChI=1S/C14H21NO2/c1-12(2)6-3-7-14(12,16)13(9-15)8-10-4-5-11(13)17-10/h10-11,16H,3-8H2,1-2H3
InChIKeyLGPGBWVLMWUPOP-UHFFFAOYSA-N
XLogP2.39
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxy-1-methylazepan-4-yl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile
CID 79132306
2-(1-hydroxy-4-propan-2-ylcyclohexyl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile
CID 79131250
2-(1-hydroxy-3-methoxycyclobutyl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile
CID 106824764
2-propan-2-yl-7-oxabicyclo[2.2.1]heptane-2-carbonitrile
CID 130513924
2-(3-hydroxybutan-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile
CID 130513961
2-ethyl-7-oxabicyclo[2.2.1]heptane-2-carbonitrile
CID 65393153
1-(1-hydroxy-2,2-dimethylcyclohexyl)cyclobutane-1-carbonitrile
CID 79852266
2-(2-hydroxy-8-oxabicyclo[3.2.1]octan-2-yl)acetonitrile
CID 130871615
2-(2-hydroxy-8-oxabicyclo[3.2.1]octan-2-yl)-2-methylpropanenitrile
CID 130802685
2-(3-hydroxy-8-oxabicyclo[3.2.1]octan-3-yl)acetonitrile
CID 171953045
2-(2-hydroxy-3-methoxy-3-methylbutan-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile
CID 114228394
2-(dimethylamino)-8-oxabicyclo[3.2.1]octane-2-carbonitrile
CID 130802682

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-2,2-dimethylcyclopentyl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile?
The IUPAC name of 2-(1-hydroxy-2,2-dimethylcyclopentyl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile (CID 79863326) is 2-(1-hydroxy-2,2-dimethylcyclopentyl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile.
What is the SMILES notation for 2-(1-hydroxy-2,2-dimethylcyclopentyl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile?
The canonical SMILES for 2-(1-hydroxy-2,2-dimethylcyclopentyl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile is CC1(C)CCCC1(O)C1(C#N)CC2CCC1O2.
What is the InChIKey of 2-(1-hydroxy-2,2-dimethylcyclopentyl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile?
The InChIKey is LGPGBWVLMWUPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-12(2)6-3-7-14(12,16)13(9-15)8-10-4-5-11(13)17-10/h10-11,16H,3-8H2,1-2H3.
What are the key properties of 2-(1-hydroxy-2,2-dimethylcyclopentyl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile?
2-(1-hydroxy-2,2-dimethylcyclopentyl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile has a molecular weight of 235.33 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-2,2-dimethylcyclopentyl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile is sourced from PubChem (CID 79863326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).