(2S)-2-hydroxy-3-phenylpropanenitrile

C9H9NO — CID 12521933

IUPAC(2S)-2-hydroxy-3-phenylpropanenitrile
SMILESN#C[C@@H](O)Cc1ccccc1
InChIInChI=1S/C9H9NO/c10-7-9(11)6-8-4-2-1-3-5-8/h1-5,9,11H,6H2/t9-/m0/s1
InChIKeyGOOUUOYVIYFDBL-VIFPVBQESA-N
MW147.18 g/mol
LogP1.11
Rot. Bonds2

About (2S)-2-hydroxy-3-phenylpropanenitrile

(2S)-2-hydroxy-3-phenylpropanenitrile (PubChem CID 12521933) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-phenylpropanenitrile.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-phenylpropanenitrile
PubChem CID12521933
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name(2S)-2-hydroxy-3-phenylpropanenitrile
SMILESN#C[C@@H](O)Cc1ccccc1
InChIInChI=1S/C9H9NO/c10-7-9(11)6-8-4-2-1-3-5-8/h1-5,9,11H,6H2/t9-/m0/s1
InChIKeyGOOUUOYVIYFDBL-VIFPVBQESA-N
XLogP1.11
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.11
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-3-phenylpropanenitrile?
The IUPAC name of (2S)-2-hydroxy-3-phenylpropanenitrile (CID 12521933) is (2S)-2-hydroxy-3-phenylpropanenitrile.
What is the SMILES notation for (2S)-2-hydroxy-3-phenylpropanenitrile?
The canonical SMILES for (2S)-2-hydroxy-3-phenylpropanenitrile is N#C[C@@H](O)Cc1ccccc1.
What is the InChIKey of (2S)-2-hydroxy-3-phenylpropanenitrile?
The InChIKey is GOOUUOYVIYFDBL-VIFPVBQESA-N. The full InChI is InChI=1S/C9H9NO/c10-7-9(11)6-8-4-2-1-3-5-8/h1-5,9,11H,6H2/t9-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-phenylpropanenitrile?
(2S)-2-hydroxy-3-phenylpropanenitrile has a molecular weight of 147.18 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-phenylpropanenitrile is sourced from PubChem (CID 12521933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).