2-hydroxyadamantane-1-carbonitrile

C11H15NO — CID 121217220

IUPAC2-hydroxyadamantane-1-carbonitrile
SMILESN#CC12CC3CC(CC(C3)C1O)C2
InChIInChI=1S/C11H15NO/c12-6-11-4-7-1-8(5-11)3-9(2-7)10(11)13/h7-10,13H,1-5H2
InChIKeyRZGWAARTVKCMNR-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.70
Rot. Bonds

About 2-hydroxyadamantane-1-carbonitrile

2-hydroxyadamantane-1-carbonitrile (PubChem CID 121217220) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-hydroxyadamantane-1-carbonitrile.

Molecular Properties

Compound Name2-hydroxyadamantane-1-carbonitrile
PubChem CID121217220
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-hydroxyadamantane-1-carbonitrile
SMILESN#CC12CC3CC(CC(C3)C1O)C2
InChIInChI=1S/C11H15NO/c12-6-11-4-7-1-8(5-11)3-9(2-7)10(11)13/h7-10,13H,1-5H2
InChIKeyRZGWAARTVKCMNR-UHFFFAOYSA-N
XLogP1.70
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-aminoadamantan-2-ol
CID 12563267
1-methyladamantan-2-ol
CID 12697517
2-hydroxybicyclo[3.1.1]heptane-1-carbonitrile
CID 15808002
(2S,5S,7S)-1-(hydroxymethyl)adamantan-2-ol
CID 124583912
(5S,7R)-1-(hydroxymethyl)adamantan-2-ol
CID 102508156
1-(2-hydroxy-1-adamantyl)ethanone
CID 591962
(1S,3R,5S)-3-hydroxybicyclo[3.1.0]hexane-1-carbonitrile
CID 130905997
silver 2-hydroxyadamantane-1-carboxylate
CID 158834980
(2R,5S,7R)-1-(1-aminoethyl)adamantan-2-ol
CID 102057489
1,2-diethynyladamantane
CID 19833515
5-(1-adamantyl)adamantan-2-ol
CID 68898703
1-(3-hydroxypropyl)adamantan-2-ol
CID 73302392

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyadamantane-1-carbonitrile?
The IUPAC name of 2-hydroxyadamantane-1-carbonitrile (CID 121217220) is 2-hydroxyadamantane-1-carbonitrile.
What is the SMILES notation for 2-hydroxyadamantane-1-carbonitrile?
The canonical SMILES for 2-hydroxyadamantane-1-carbonitrile is N#CC12CC3CC(CC(C3)C1O)C2.
What is the InChIKey of 2-hydroxyadamantane-1-carbonitrile?
The InChIKey is RZGWAARTVKCMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c12-6-11-4-7-1-8(5-11)3-9(2-7)10(11)13/h7-10,13H,1-5H2.
What are the key properties of 2-hydroxyadamantane-1-carbonitrile?
2-hydroxyadamantane-1-carbonitrile has a molecular weight of 177.25 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyadamantane-1-carbonitrile is sourced from PubChem (CID 121217220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).