NCN radical

CN2 — CID 5384683

IUPAC—
SMILES[N]C#N
InChIInChI=1S/CN2/c2-1-3
InChIKeyNFKMPKOGCRBAJF-UHFFFAOYSA-N
MW40.02 g/mol
LogP-0.46
Rot. Bonds

About NCN radical

NCN radical (PubChem CID 5384683) has the molecular formula CN2 and a molecular weight of 40.02 g/mol.

Molecular Properties

Compound NameNCN radical
PubChem CID5384683
Molecular FormulaCN2
Molecular Weight40.02 g/mol
Exact Mass40.01
IUPAC Name—
SMILES[N]C#N
InChIInChI=1S/CN2/c2-1-3
InChIKeyNFKMPKOGCRBAJF-UHFFFAOYSA-N
XLogP-0.46
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50040.02
LogP ≤ 5-0.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of NCN radical?
The IUPAC name of NCN radical (CID 5384683) is not available.
What is the SMILES notation for NCN radical?
The canonical SMILES for NCN radical is [N]C#N.
What is the InChIKey of NCN radical?
The InChIKey is NFKMPKOGCRBAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/CN2/c2-1-3.
What are the key properties of NCN radical?
NCN radical has a molecular weight of 40.02 g/mol, XLogP of -0.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for NCN radical is sourced from PubChem (CID 5384683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).