2-hydroxybicyclo[3.1.1]heptane-1-carbonitrile

C8H11NO — CID 15808002

IUPAC2-hydroxybicyclo[3.1.1]heptane-1-carbonitrile
SMILESN#CC12CC(CCC1O)C2
InChIInChI=1S/C8H11NO/c9-5-8-3-6(4-8)1-2-7(8)10/h6-7,10H,1-4H2
InChIKeyAGSOGVLBNPAKAA-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.06
Rot. Bonds

About 2-hydroxybicyclo[3.1.1]heptane-1-carbonitrile

2-hydroxybicyclo[3.1.1]heptane-1-carbonitrile (PubChem CID 15808002) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 2-hydroxybicyclo[3.1.1]heptane-1-carbonitrile.

Molecular Properties

Compound Name2-hydroxybicyclo[3.1.1]heptane-1-carbonitrile
PubChem CID15808002
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name2-hydroxybicyclo[3.1.1]heptane-1-carbonitrile
SMILESN#CC12CC(CCC1O)C2
InChIInChI=1S/C8H11NO/c9-5-8-3-6(4-8)1-2-7(8)10/h6-7,10H,1-4H2
InChIKeyAGSOGVLBNPAKAA-UHFFFAOYSA-N
XLogP1.06
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 121217220
(1S,3R,5S)-3-hydroxybicyclo[3.1.0]hexane-1-carbonitrile
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cis-(3S,5R)-1,3,4,5-tetrahydroxy-2-iodocyclohexane-1-carbonitrile
CID 151753549
2,5-dihydroxyoxane-2-carbonitrile
CID 88726732
3-cyanobicyclo[3.2.1]octane-3-carboxylic acid
CID 165470356
bicyclo[2.2.1]heptane-1-carbonitrile
CID 517818
(1R,4R)-1,4-dihydroxycyclopent-2-ene-1-carbonitrile
CID 15596200
bicyclo[2.1.1]hexan-1-ol
CID 14867020
1-cyclopentylcyclopentane-1-carbonitrile
CID 130513545
2-(2-hydroxy-2-bicyclo[2.2.2]octanyl)acetonitrile
CID 15391167
3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 535477
3-hydroxy-2,2-dimethylpyrrolidine-1-carbonitrile
CID 127014466

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybicyclo[3.1.1]heptane-1-carbonitrile?
The IUPAC name of 2-hydroxybicyclo[3.1.1]heptane-1-carbonitrile (CID 15808002) is 2-hydroxybicyclo[3.1.1]heptane-1-carbonitrile.
What is the SMILES notation for 2-hydroxybicyclo[3.1.1]heptane-1-carbonitrile?
The canonical SMILES for 2-hydroxybicyclo[3.1.1]heptane-1-carbonitrile is N#CC12CC(CCC1O)C2.
What is the InChIKey of 2-hydroxybicyclo[3.1.1]heptane-1-carbonitrile?
The InChIKey is AGSOGVLBNPAKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c9-5-8-3-6(4-8)1-2-7(8)10/h6-7,10H,1-4H2.
What are the key properties of 2-hydroxybicyclo[3.1.1]heptane-1-carbonitrile?
2-hydroxybicyclo[3.1.1]heptane-1-carbonitrile has a molecular weight of 137.18 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybicyclo[3.1.1]heptane-1-carbonitrile is sourced from PubChem (CID 15808002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).