(2S)-2-hydroxypentanenitrile

C5H9NO — CID 12548639

IUPAC(2S)-2-hydroxypentanenitrile
SMILESCCC[C@H](O)C#N
InChIInChI=1S/C5H9NO/c1-2-3-5(7)4-6/h5,7H,2-3H2,1H3/t5-/m0/s1
InChIKeyAANFRDGJHYLLAE-YFKPBYRVSA-N
MW99.13 g/mol
LogP0.67
Rot. Bonds2

About (2S)-2-hydroxypentanenitrile

(2S)-2-hydroxypentanenitrile (PubChem CID 12548639) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is (2S)-2-hydroxypentanenitrile.

Molecular Properties

Compound Name(2S)-2-hydroxypentanenitrile
PubChem CID12548639
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name(2S)-2-hydroxypentanenitrile
SMILESCCC[C@H](O)C#N
InChIInChI=1S/C5H9NO/c1-2-3-5(7)4-6/h5,7H,2-3H2,1H3/t5-/m0/s1
InChIKeyAANFRDGJHYLLAE-YFKPBYRVSA-N
XLogP0.67
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.67
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-hydroxypentanenitrile?
The IUPAC name of (2S)-2-hydroxypentanenitrile (CID 12548639) is (2S)-2-hydroxypentanenitrile.
What is the SMILES notation for (2S)-2-hydroxypentanenitrile?
The canonical SMILES for (2S)-2-hydroxypentanenitrile is CCC[C@H](O)C#N.
What is the InChIKey of (2S)-2-hydroxypentanenitrile?
The InChIKey is AANFRDGJHYLLAE-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H9NO/c1-2-3-5(7)4-6/h5,7H,2-3H2,1H3/t5-/m0/s1.
What are the key properties of (2S)-2-hydroxypentanenitrile?
(2S)-2-hydroxypentanenitrile has a molecular weight of 99.13 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxypentanenitrile is sourced from PubChem (CID 12548639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).