[cyanato(cyano)phosphoryl] cyanate

C3N3O3P — CID 151662498

IUPAC[cyanato(cyano)phosphoryl] cyanate
SMILESN#COP(=O)(C#N)OC#N
InChIInChI=1S/C3N3O3P/c4-1-8-10(7,3-6)9-2-5
InChIKeyQWVHOIUQWUNKFJ-UHFFFAOYSA-N
MW157.03 g/mol
LogP0.66
Rot. Bonds2

About [cyanato(cyano)phosphoryl] cyanate

[cyanato(cyano)phosphoryl] cyanate (PubChem CID 151662498) has the molecular formula C3N3O3P and a molecular weight of 157.03 g/mol. Its IUPAC name is [cyanato(cyano)phosphoryl] cyanate.

Molecular Properties

Compound Name[cyanato(cyano)phosphoryl] cyanate
PubChem CID151662498
Molecular FormulaC3N3O3P
Molecular Weight157.03 g/mol
Exact Mass156.97
IUPAC Name[cyanato(cyano)phosphoryl] cyanate
SMILESN#COP(=O)(C#N)OC#N
InChIInChI=1S/C3N3O3P/c4-1-8-10(7,3-6)9-2-5
InChIKeyQWVHOIUQWUNKFJ-UHFFFAOYSA-N
XLogP0.66
TPSA106.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.03
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [cyanato(cyano)phosphoryl] cyanate?
The IUPAC name of [cyanato(cyano)phosphoryl] cyanate (CID 151662498) is [cyanato(cyano)phosphoryl] cyanate.
What is the SMILES notation for [cyanato(cyano)phosphoryl] cyanate?
The canonical SMILES for [cyanato(cyano)phosphoryl] cyanate is N#COP(=O)(C#N)OC#N.
What is the InChIKey of [cyanato(cyano)phosphoryl] cyanate?
The InChIKey is QWVHOIUQWUNKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3N3O3P/c4-1-8-10(7,3-6)9-2-5.
What are the key properties of [cyanato(cyano)phosphoryl] cyanate?
[cyanato(cyano)phosphoryl] cyanate has a molecular weight of 157.03 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [cyanato(cyano)phosphoryl] cyanate is sourced from PubChem (CID 151662498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).