(2S)-2-hydroxy-2-phenylpropanenitrile

C9H9NO — CID 11040841

IUPAC(2S)-2-hydroxy-2-phenylpropanenitrile
SMILESC[C@@](O)(C#N)c1ccccc1
InChIInChI=1S/C9H9NO/c1-9(11,7-10)8-5-3-2-4-6-8/h2-6,11H,1H3/t9-/m1/s1
InChIKeyNGLPDXCYIUHTNP-SECBINFHSA-N
MW147.18 g/mol
LogP1.42
Rot. Bonds1

About (2S)-2-hydroxy-2-phenylpropanenitrile

(2S)-2-hydroxy-2-phenylpropanenitrile (PubChem CID 11040841) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is (2S)-2-hydroxy-2-phenylpropanenitrile.

Molecular Properties

Compound Name(2S)-2-hydroxy-2-phenylpropanenitrile
PubChem CID11040841
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name(2S)-2-hydroxy-2-phenylpropanenitrile
SMILESC[C@@](O)(C#N)c1ccccc1
InChIInChI=1S/C9H9NO/c1-9(11,7-10)8-5-3-2-4-6-8/h2-6,11H,1H3/t9-/m1/s1
InChIKeyNGLPDXCYIUHTNP-SECBINFHSA-N
XLogP1.42
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-2-phenylpropanenitrile?
The IUPAC name of (2S)-2-hydroxy-2-phenylpropanenitrile (CID 11040841) is (2S)-2-hydroxy-2-phenylpropanenitrile.
What is the SMILES notation for (2S)-2-hydroxy-2-phenylpropanenitrile?
The canonical SMILES for (2S)-2-hydroxy-2-phenylpropanenitrile is C[C@@](O)(C#N)c1ccccc1.
What is the InChIKey of (2S)-2-hydroxy-2-phenylpropanenitrile?
The InChIKey is NGLPDXCYIUHTNP-SECBINFHSA-N. The full InChI is InChI=1S/C9H9NO/c1-9(11,7-10)8-5-3-2-4-6-8/h2-6,11H,1H3/t9-/m1/s1.
What are the key properties of (2S)-2-hydroxy-2-phenylpropanenitrile?
(2S)-2-hydroxy-2-phenylpropanenitrile has a molecular weight of 147.18 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-2-phenylpropanenitrile is sourced from PubChem (CID 11040841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).