cyanic acid

CHNO — CID 540

IUPACcyanic acid
SMILESN#CO
InChIInChI=1S/CHNO/c2-1-3/h3H
InChIKeyXLJMAIOERFSOGZ-UHFFFAOYSA-N
MW43.03 g/mol
LogP-0.16
Rot. Bonds

About cyanic acid

cyanic acid (PubChem CID 540) has the molecular formula CHNO and a molecular weight of 43.03 g/mol. Its IUPAC name is cyanic acid.

Molecular Properties

Compound Namecyanic acid
PubChem CID540
Molecular FormulaCHNO
Molecular Weight43.03 g/mol
Exact Mass43.01
IUPAC Namecyanic acid
SMILESN#CO
InChIInChI=1S/CHNO/c2-1-3/h3H
InChIKeyXLJMAIOERFSOGZ-UHFFFAOYSA-N
XLogP-0.16
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50043.03
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 cyanic acid?
The IUPAC name of cyanic acid (CID 540) is cyanic acid.
What is the SMILES notation for cyanic acid?
The canonical SMILES for cyanic acid is N#CO.
What is the InChIKey of cyanic acid?
The InChIKey is XLJMAIOERFSOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/CHNO/c2-1-3/h3H.
What are the key properties of cyanic acid?
cyanic acid has a molecular weight of 43.03 g/mol, XLogP of -0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyanic acid is sourced from PubChem (CID 540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).