(dimethoxyamino) cyanate

C3H6N2O3 — CID 167295217

IUPAC(dimethoxyamino) cyanate
SMILESCON(OC)OC#N
InChIInChI=1S/C3H6N2O3/c1-6-5(7-2)8-3-4/h1-2H3
InChIKeyCPLGFFITZZNPIB-UHFFFAOYSA-N
MW118.09 g/mol
LogP-0.18
Rot. Bonds3

About (dimethoxyamino) cyanate

(dimethoxyamino) cyanate (PubChem CID 167295217) has the molecular formula C3H6N2O3 and a molecular weight of 118.09 g/mol. Its IUPAC name is (dimethoxyamino) cyanate.

Molecular Properties

Compound Name(dimethoxyamino) cyanate
PubChem CID167295217
Molecular FormulaC3H6N2O3
Molecular Weight118.09 g/mol
Exact Mass118.04
IUPAC Name(dimethoxyamino) cyanate
SMILESCON(OC)OC#N
InChIInChI=1S/C3H6N2O3/c1-6-5(7-2)8-3-4/h1-2H3
InChIKeyCPLGFFITZZNPIB-UHFFFAOYSA-N
XLogP-0.18
TPSA54.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.09
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (dimethoxyamino) cyanate?
The IUPAC name of (dimethoxyamino) cyanate (CID 167295217) is (dimethoxyamino) cyanate.
What is the SMILES notation for (dimethoxyamino) cyanate?
The canonical SMILES for (dimethoxyamino) cyanate is CON(OC)OC#N.
What is the InChIKey of (dimethoxyamino) cyanate?
The InChIKey is CPLGFFITZZNPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O3/c1-6-5(7-2)8-3-4/h1-2H3.
What are the key properties of (dimethoxyamino) cyanate?
(dimethoxyamino) cyanate has a molecular weight of 118.09 g/mol, XLogP of -0.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (dimethoxyamino) cyanate is sourced from PubChem (CID 167295217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).