2-(2-hydroxy-2-bicyclo[2.2.2]octanyl)acetonitrile

C10H15NO — CID 15391167

IUPAC2-(2-hydroxy-2-bicyclo[2.2.2]octanyl)acetonitrile
SMILESN#CCC1(O)CC2CCC1CC2
InChIInChI=1S/C10H15NO/c11-6-5-10(12)7-8-1-3-9(10)4-2-8/h8-9,12H,1-5,7H2
InChIKeyITXLAQDNQTULRH-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.84
Rot. Bonds1

About 2-(2-hydroxy-2-bicyclo[2.2.2]octanyl)acetonitrile

2-(2-hydroxy-2-bicyclo[2.2.2]octanyl)acetonitrile (PubChem CID 15391167) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-(2-hydroxy-2-bicyclo[2.2.2]octanyl)acetonitrile.

Molecular Properties

Compound Name2-(2-hydroxy-2-bicyclo[2.2.2]octanyl)acetonitrile
PubChem CID15391167
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-(2-hydroxy-2-bicyclo[2.2.2]octanyl)acetonitrile
SMILESN#CCC1(O)CC2CCC1CC2
InChIInChI=1S/C10H15NO/c11-6-5-10(12)7-8-1-3-9(10)4-2-8/h8-9,12H,1-5,7H2
InChIKeyITXLAQDNQTULRH-UHFFFAOYSA-N
XLogP1.84
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methylaminomethyl)bicyclo[2.2.2]octan-2-ol
CID 130991731
2-(2-tert-butyl-1-hydroxycyclohexyl)acetonitrile
CID 79118971
2-(1,2-dihydroxycyclopentyl)acetonitrile
CID 130142856
2-(1-hydroxy-2,4-dimethylcyclohexyl)acetonitrile
CID 79118602
2-(2-hydroxy-8-oxabicyclo[3.2.1]octan-2-yl)acetonitrile
CID 130871615
2-[(1R,2S,5R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexyl]acetonitrile
CID 11321509
2-(3-hydroxy-8-oxabicyclo[3.2.1]octan-3-yl)acetonitrile
CID 171953045
2-(3-hydroxy-8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)acetonitrile
CID 171953048
(1S,2S,4S)-2-(2-hydroxyethyl)bicyclo[2.2.1]heptan-2-ol
CID 130877530
2-(3-ethyl-1-hydroxycyclopentyl)acetonitrile
CID 79119305
(2R)-2-methylbicyclo[2.2.2]octan-2-ol
CID 13329636
2-(methylamino)bicyclo[2.2.2]octane-2-carbonitrile
CID 130878823

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-2-bicyclo[2.2.2]octanyl)acetonitrile?
The IUPAC name of 2-(2-hydroxy-2-bicyclo[2.2.2]octanyl)acetonitrile (CID 15391167) is 2-(2-hydroxy-2-bicyclo[2.2.2]octanyl)acetonitrile.
What is the SMILES notation for 2-(2-hydroxy-2-bicyclo[2.2.2]octanyl)acetonitrile?
The canonical SMILES for 2-(2-hydroxy-2-bicyclo[2.2.2]octanyl)acetonitrile is N#CCC1(O)CC2CCC1CC2.
What is the InChIKey of 2-(2-hydroxy-2-bicyclo[2.2.2]octanyl)acetonitrile?
The InChIKey is ITXLAQDNQTULRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c11-6-5-10(12)7-8-1-3-9(10)4-2-8/h8-9,12H,1-5,7H2.
What are the key properties of 2-(2-hydroxy-2-bicyclo[2.2.2]octanyl)acetonitrile?
2-(2-hydroxy-2-bicyclo[2.2.2]octanyl)acetonitrile has a molecular weight of 165.24 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-2-bicyclo[2.2.2]octanyl)acetonitrile is sourced from PubChem (CID 15391167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).