sodium;hydride;3-hydroxyprop-2-enenitrile

C3H4NNaO — CID 173433697

IUPACsodium;hydride;3-hydroxyprop-2-enenitrile
SMILESN#CC=CO.[H-].[Na+]
InChIInChI=1S/C3H3NO.Na.H/c4-2-1-3-5;;/h1,3,5H;;/q;+1;-1
InChIKeyGRQGFUZUSHOMOU-UHFFFAOYSA-N
MW93.06 g/mol
LogP-2.30
Rot. Bonds

About sodium;hydride;3-hydroxyprop-2-enenitrile

sodium;hydride;3-hydroxyprop-2-enenitrile (PubChem CID 173433697) has the molecular formula C3H4NNaO and a molecular weight of 93.06 g/mol. Its IUPAC name is sodium;hydride;3-hydroxyprop-2-enenitrile.

Molecular Properties

Compound Namesodium;hydride;3-hydroxyprop-2-enenitrile
PubChem CID173433697
Molecular FormulaC3H4NNaO
Molecular Weight93.06 g/mol
Exact Mass93.02
IUPAC Namesodium;hydride;3-hydroxyprop-2-enenitrile
SMILESN#CC=CO.[H-].[Na+]
InChIInChI=1S/C3H3NO.Na.H/c4-2-1-3-5;;/h1,3,5H;;/q;+1;-1
InChIKeyGRQGFUZUSHOMOU-UHFFFAOYSA-N
XLogP-2.30
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.06
LogP ≤ 5-2.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Analyze sodium;hydride;3-hydroxyprop-2-enenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methylidenehepta-2,5-dienedinitrile
CID 152631146
sodium;3,3-bis(sulfanyl)prop-2-enenitrile;hydride
CID 174791181
3-phosphanylprop-2-enenitrile
CID 86203700
(E)-(413C)but-2-enenitrile
CID 10986149
sodium;hydride;scandium;hydrate
CID 174797344
(E)-3-[(E)-2-cyanoethenoxy]prop-2-enenitrile
CID 20510390
(Z)-3-cyanoprop-2-enoyl iodide
CID 122607560
(E)-but-2-enenitrile;carbonic acid
CID 87649142
5-hydroxypent-2-enenitrile
CID 548826
disodium;ethene-1,1,2,2-tetracarbonitrile;hydride
CID 173357424
potassium (Z)-3-cyanoprop-2-enoate
CID 140761253
sodium;hydride;prop-2-enenitrile;thiocyanic acid
CID 174758576

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;3-hydroxyprop-2-enenitrile?
The IUPAC name of sodium;hydride;3-hydroxyprop-2-enenitrile (CID 173433697) is sodium;hydride;3-hydroxyprop-2-enenitrile.
What is the SMILES notation for sodium;hydride;3-hydroxyprop-2-enenitrile?
The canonical SMILES for sodium;hydride;3-hydroxyprop-2-enenitrile is N#CC=CO.[H-].[Na+].
What is the InChIKey of sodium;hydride;3-hydroxyprop-2-enenitrile?
The InChIKey is GRQGFUZUSHOMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3NO.Na.H/c4-2-1-3-5;;/h1,3,5H;;/q;+1;-1.
What are the key properties of sodium;hydride;3-hydroxyprop-2-enenitrile?
sodium;hydride;3-hydroxyprop-2-enenitrile has a molecular weight of 93.06 g/mol, XLogP of -2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;3-hydroxyprop-2-enenitrile is sourced from PubChem (CID 173433697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).