2-hydroxypropanenitrile

C3H5NO — CID 6572

IUPAC2-hydroxypropanenitrile
SMILESCC(O)C#N
InChIInChI=1S/C3H5NO/c1-3(5)2-4/h3,5H,1H3
InChIKeyWOFDVDFSGLBFAC-UHFFFAOYSA-N
MW71.08 g/mol
LogP-0.11
Rot. Bonds

About 2-hydroxypropanenitrile

2-hydroxypropanenitrile (PubChem CID 6572) has the molecular formula C3H5NO and a molecular weight of 71.08 g/mol. Its IUPAC name is 2-hydroxypropanenitrile.

Molecular Properties

Compound Name2-hydroxypropanenitrile
PubChem CID6572
Molecular FormulaC3H5NO
Molecular Weight71.08 g/mol
Exact Mass71.04
IUPAC Name2-hydroxypropanenitrile
SMILESCC(O)C#N
InChIInChI=1S/C3H5NO/c1-3(5)2-4/h3,5H,1H3
InChIKeyWOFDVDFSGLBFAC-UHFFFAOYSA-N
XLogP-0.11
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50071.08
LogP ≤ 5-0.11
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 2-hydroxypropanenitrile?
The IUPAC name of 2-hydroxypropanenitrile (CID 6572) is 2-hydroxypropanenitrile.
What is the SMILES notation for 2-hydroxypropanenitrile?
The canonical SMILES for 2-hydroxypropanenitrile is CC(O)C#N.
What is the InChIKey of 2-hydroxypropanenitrile?
The InChIKey is WOFDVDFSGLBFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO/c1-3(5)2-4/h3,5H,1H3.
What are the key properties of 2-hydroxypropanenitrile?
2-hydroxypropanenitrile has a molecular weight of 71.08 g/mol, XLogP of -0.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropanenitrile is sourced from PubChem (CID 6572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).