2-hydroxyacetonitrile

C2H3NO — CID 169441671

IUPAC2-hydroxyacetonitrile
SMILESN#[13C][13CH2]O
InChIInChI=1S/C2H3NO/c3-1-2-4/h4H,2H2/i1+1,2+1
InChIKeyLTYRAPJYLUPLCI-ZDOIIHCHSA-N
MW59.04 g/mol
LogP-0.50
Rot. Bonds

About 2-hydroxyacetonitrile

2-hydroxyacetonitrile (PubChem CID 169441671) has the molecular formula C2H3NO and a molecular weight of 59.04 g/mol. Its IUPAC name is 2-hydroxyacetonitrile.

Molecular Properties

Compound Name2-hydroxyacetonitrile
PubChem CID169441671
Molecular FormulaC2H3NO
Molecular Weight59.04 g/mol
Exact Mass59.03
IUPAC Name2-hydroxyacetonitrile
SMILESN#[13C][13CH2]O
InChIInChI=1S/C2H3NO/c3-1-2-4/h4H,2H2/i1+1,2+1
InChIKeyLTYRAPJYLUPLCI-ZDOIIHCHSA-N
XLogP-0.50
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50059.04
LogP ≤ 5-0.50
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-hydroxyacetonitrile;phenol
CID 174534012
cyanophosphanium
CID 23594344
ethanol;propanenitrile;hydrate
CID 158101075
aniline;2-hydroxyacetonitrile
CID 158486544
ethane-1,2-diol;bis(propanenitrile);hydrate
CID 173496887
N-carbamoyl-2-hydroxyacetamide;2-hydroxyacetonitrile
CID 162118719
2-(hydroxymethylsulfanyl)acetonitrile
CID 22743812
ethanol;bis(hydroperoxy-oxido-oxophosphanium);2-hydroxyacetonitrile;methane;molecular hydrogen;hydrate
CID 159075627
2-(2-hydroxyethylsulfanyl)acetonitrile
CID 20705784
(E)-5-hydroxypent-3-enenitrile
CID 15256586
acetonitrile;azane;ethanol
CID 87739333
acetonitrile;azane;ethanol;hydrate
CID 173069491

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyacetonitrile?
The IUPAC name of 2-hydroxyacetonitrile (CID 169441671) is 2-hydroxyacetonitrile.
What is the SMILES notation for 2-hydroxyacetonitrile?
The canonical SMILES for 2-hydroxyacetonitrile is N#[13C][13CH2]O.
What is the InChIKey of 2-hydroxyacetonitrile?
The InChIKey is LTYRAPJYLUPLCI-ZDOIIHCHSA-N. The full InChI is InChI=1S/C2H3NO/c3-1-2-4/h4H,2H2/i1+1,2+1.
What are the key properties of 2-hydroxyacetonitrile?
2-hydroxyacetonitrile has a molecular weight of 59.04 g/mol, XLogP of -0.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyacetonitrile is sourced from PubChem (CID 169441671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).