sodium cyanide

CNNa — CID 8929

IUPACsodium cyanide
SMILES[C-]#N.[Na+]
InChIInChI=1S/CN.Na/c1-2;/q-1;+1
InChIKeyMNWBNISUBARLIT-UHFFFAOYSA-N
MW49.01 g/mol
LogP-2.90
Rot. Bonds

About sodium cyanide

sodium cyanide (PubChem CID 8929) has the molecular formula CNNa and a molecular weight of 49.01 g/mol. Its IUPAC name is sodium cyanide.

Molecular Properties

Compound Namesodium cyanide
PubChem CID8929
Molecular FormulaCNNa
Molecular Weight49.01 g/mol
Exact Mass48.99
IUPAC Namesodium cyanide
SMILES[C-]#N.[Na+]
InChIInChI=1S/CN.Na/c1-2;/q-1;+1
InChIKeyMNWBNISUBARLIT-UHFFFAOYSA-N
XLogP-2.90
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50049.01
LogP ≤ 5-2.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze sodium cyanide 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

sodium;hydride;cyanide
CID 24940185
silver;sodium;cyanide
CID 23700743
trisodium;iron(2+);pentacyanide
CID 157307614
sodium;iron(2+);tricyanide
CID 159498297
sodium;rhodium(2+);cyanide
CID 23681508
sodium;cyanide;hydrobromide
CID 139950314
sodium;hydride;ruthenium(1+);cyanide
CID 174621752
sodium;cobalt(2+);iron(2+);pentacyanide
CID 169093006
sodium;cobalt;hydride;cyanide
CID 173391489
tetrasodium;iron(3+);hexacyanide;hydroxide
CID 173042074
disodium;hydride;iron;cyanide
CID 174748463
sodium;zinc;oxygen(2-);cyanide
CID 157409955

Frequently Asked Questions

What is the IUPAC name of sodium cyanide?
The IUPAC name of sodium cyanide (CID 8929) is sodium cyanide.
What is the SMILES notation for sodium cyanide?
The canonical SMILES for sodium cyanide is [C-]#N.[Na+].
What is the InChIKey of sodium cyanide?
The InChIKey is MNWBNISUBARLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/CN.Na/c1-2;/q-1;+1.
What are the key properties of sodium cyanide?
sodium cyanide has a molecular weight of 49.01 g/mol, XLogP of -2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium cyanide is sourced from PubChem (CID 8929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).