2-hydroxy-2-naphthalen-1-ylpropanenitrile

C13H11NO — CID 102137680

IUPAC2-hydroxy-2-naphthalen-1-ylpropanenitrile
SMILESCC(O)(C#N)c1cccc2ccccc12
InChIInChI=1S/C13H11NO/c1-13(15,9-14)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,15H,1H3
InChIKeyYSHRXPYLLYZRKG-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.57
Rot. Bonds1

About 2-hydroxy-2-naphthalen-1-ylpropanenitrile

2-hydroxy-2-naphthalen-1-ylpropanenitrile (PubChem CID 102137680) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-hydroxy-2-naphthalen-1-ylpropanenitrile.

Molecular Properties

Compound Name2-hydroxy-2-naphthalen-1-ylpropanenitrile
PubChem CID102137680
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Name2-hydroxy-2-naphthalen-1-ylpropanenitrile
SMILESCC(O)(C#N)c1cccc2ccccc12
InChIInChI=1S/C13H11NO/c1-13(15,9-14)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,15H,1H3
InChIKeyYSHRXPYLLYZRKG-UHFFFAOYSA-N
XLogP2.57
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanohydrins', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-naphthalen-1-ylhex-3-yne-2,5-diol
CID 3762729
(5S)-2-methyl-5-naphthalen-1-ylhex-3-yne-2,5-diol
CID 909128
2,3-dimethyl-3-naphthalen-1-ylbutan-2-ol
CID 140553457
1-(1,1-dinaphthalen-1-ylethyl)naphthalene
CID 91541516
(2R)-2-(2-chlorophenyl)-2-hydroxypropanenitrile
CID 96566549
3-methyl-2-naphthalen-1-ylbutan-2-ol
CID 11830817
1-(methylamino)-2-naphthalen-1-ylpropan-2-ol
CID 62774360
3-hydroxy-3-naphthalen-1-ylbutanoic acid
CID 598604
1,1,4,4-tetranaphthalen-1-ylbutane-1,2,3,4-tetrol
CID 23002853
4-naphthalen-1-ylheptan-4-ol
CID 114866255
1-(tert-butylamino)-2-naphthalen-1-ylpropan-2-ol
CID 62774382
2-methyl-2-naphthalen-1-yl-3-thiophen-2-ylpropanenitrile
CID 117048835

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-naphthalen-1-ylpropanenitrile?
The IUPAC name of 2-hydroxy-2-naphthalen-1-ylpropanenitrile (CID 102137680) is 2-hydroxy-2-naphthalen-1-ylpropanenitrile.
What is the SMILES notation for 2-hydroxy-2-naphthalen-1-ylpropanenitrile?
The canonical SMILES for 2-hydroxy-2-naphthalen-1-ylpropanenitrile is CC(O)(C#N)c1cccc2ccccc12.
What is the InChIKey of 2-hydroxy-2-naphthalen-1-ylpropanenitrile?
The InChIKey is YSHRXPYLLYZRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO/c1-13(15,9-14)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,15H,1H3.
What are the key properties of 2-hydroxy-2-naphthalen-1-ylpropanenitrile?
2-hydroxy-2-naphthalen-1-ylpropanenitrile has a molecular weight of 197.24 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-naphthalen-1-ylpropanenitrile is sourced from PubChem (CID 102137680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).