2-hydroxypropanedinitrile

C3H2N2O — CID 22753628

IUPAC2-hydroxypropanedinitrile
SMILESN#CC(O)C#N
InChIInChI=1S/C3H2N2O/c4-1-3(6)2-5/h3,6H
InChIKeyQUAISPSYUPGGDD-UHFFFAOYSA-N
MW82.06 g/mol
LogP-0.61
Rot. Bonds

About 2-hydroxypropanedinitrile

2-hydroxypropanedinitrile (PubChem CID 22753628) has the molecular formula C3H2N2O and a molecular weight of 82.06 g/mol. Its IUPAC name is 2-hydroxypropanedinitrile.

Molecular Properties

Compound Name2-hydroxypropanedinitrile
PubChem CID22753628
Molecular FormulaC3H2N2O
Molecular Weight82.06 g/mol
Exact Mass82.02
IUPAC Name2-hydroxypropanedinitrile
SMILESN#CC(O)C#N
InChIInChI=1S/C3H2N2O/c4-1-3(6)2-5/h3,6H
InChIKeyQUAISPSYUPGGDD-UHFFFAOYSA-N
XLogP-0.61
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.06
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-hydroxypropanedinitrile?
The IUPAC name of 2-hydroxypropanedinitrile (CID 22753628) is 2-hydroxypropanedinitrile.
What is the SMILES notation for 2-hydroxypropanedinitrile?
The canonical SMILES for 2-hydroxypropanedinitrile is N#CC(O)C#N.
What is the InChIKey of 2-hydroxypropanedinitrile?
The InChIKey is QUAISPSYUPGGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2N2O/c4-1-3(6)2-5/h3,6H.
What are the key properties of 2-hydroxypropanedinitrile?
2-hydroxypropanedinitrile has a molecular weight of 82.06 g/mol, XLogP of -0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropanedinitrile is sourced from PubChem (CID 22753628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).