nitro N-oxocarbamoperoxoate

CN2O6 — CID 150557136

IUPACnitro N-oxocarbamoperoxoate
SMILESO=NC(=O)OO[N+](=O)[O-]
InChIInChI=1S/CN2O6/c4-1(2-5)8-9-3(6)7
InChIKeyIJBPNULBPOGANF-UHFFFAOYSA-N
MW136.02 g/mol
LogP0.01
Rot. Bonds2

About nitro N-oxocarbamoperoxoate

nitro N-oxocarbamoperoxoate (PubChem CID 150557136) has the molecular formula CN2O6 and a molecular weight of 136.02 g/mol. Its IUPAC name is nitro N-oxocarbamoperoxoate.

Molecular Properties

Compound Namenitro N-oxocarbamoperoxoate
PubChem CID150557136
Molecular FormulaCN2O6
Molecular Weight136.02 g/mol
Exact Mass135.98
IUPAC Namenitro N-oxocarbamoperoxoate
SMILESO=NC(=O)OO[N+](=O)[O-]
InChIInChI=1S/CN2O6/c4-1(2-5)8-9-3(6)7
InChIKeyIJBPNULBPOGANF-UHFFFAOYSA-N
XLogP0.01
TPSA108.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.02
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

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CID 55298204
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CID 13380264
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CID 150632821
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CID 154285824
nitrooxy prop-2-eneperoxoate
CID 91248374
hafnium;tetrakis(nitric acid)
CID 5207132
nitroso nitrate;zirconium
CID 175447009
bis(nitric acid);nitroso nitrate
CID 174603275
dicalcium;urea;nitrate;nitrite
CID 161317819
acetyloxymercury;mercury(1+);nitrate
CID 142629064
nitric acid;nitrous acid;hydrochloride
CID 173075414
sodium;nitric acid;nitrite
CID 22990458

Frequently Asked Questions

What is the IUPAC name of nitro N-oxocarbamoperoxoate?
The IUPAC name of nitro N-oxocarbamoperoxoate (CID 150557136) is nitro N-oxocarbamoperoxoate.
What is the SMILES notation for nitro N-oxocarbamoperoxoate?
The canonical SMILES for nitro N-oxocarbamoperoxoate is O=NC(=O)OO[N+](=O)[O-].
What is the InChIKey of nitro N-oxocarbamoperoxoate?
The InChIKey is IJBPNULBPOGANF-UHFFFAOYSA-N. The full InChI is InChI=1S/CN2O6/c4-1(2-5)8-9-3(6)7.
What are the key properties of nitro N-oxocarbamoperoxoate?
nitro N-oxocarbamoperoxoate has a molecular weight of 136.02 g/mol, XLogP of 0.01, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for nitro N-oxocarbamoperoxoate is sourced from PubChem (CID 150557136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).