[2-(oxomethylidene)hydrazinyl] nitrate

CHN3O4 — CID 141070368

IUPAC[2-(oxomethylidene)hydrazinyl] nitrate
SMILESO=C=NNO[N+](=O)[O-]
InChIInChI=1S/CHN3O4/c5-1-2-3-8-4(6)7/h3H
InChIKeySRTKPMGAWZTCQK-UHFFFAOYSA-N
MW119.04 g/mol
LogP-1.05
Rot. Bonds3

About [2-(oxomethylidene)hydrazinyl] nitrate

[2-(oxomethylidene)hydrazinyl] nitrate (PubChem CID 141070368) has the molecular formula CHN3O4 and a molecular weight of 119.04 g/mol. Its IUPAC name is [2-(oxomethylidene)hydrazinyl] nitrate.

Molecular Properties

Compound Name[2-(oxomethylidene)hydrazinyl] nitrate
PubChem CID141070368
Molecular FormulaCHN3O4
Molecular Weight119.04 g/mol
Exact Mass119.00
IUPAC Name[2-(oxomethylidene)hydrazinyl] nitrate
SMILESO=C=NNO[N+](=O)[O-]
InChIInChI=1S/CHN3O4/c5-1-2-3-8-4(6)7/h3H
InChIKeySRTKPMGAWZTCQK-UHFFFAOYSA-N
XLogP-1.05
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.04
LogP ≤ 5-1.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(oxomethylidene)nitramide
CID 12807142
disodium bis(N-hydroxynitramide)
CID 170923716
(2-hydrazinylhydrazinyl) nitrate
CID 87424472
nitric acid;ruthenium;dinitrate
CID 173436166
(2-aminoethylamino) nitrate;palladium
CID 87666888
azane;hydroxylamine;N-hydroxynitramide
CID 173388904
prop-2-ynyl nitrate
CID 86583284
methyl nitrate
CID 11724
bismuthane;nitro nitrate
CID 174723286
iodo nitrate
CID 13406959
chloro nitrate
CID 174442535
azane;hydroxy nitrate
CID 173145569

Frequently Asked Questions

What is the IUPAC name of [2-(oxomethylidene)hydrazinyl] nitrate?
The IUPAC name of [2-(oxomethylidene)hydrazinyl] nitrate (CID 141070368) is [2-(oxomethylidene)hydrazinyl] nitrate.
What is the SMILES notation for [2-(oxomethylidene)hydrazinyl] nitrate?
The canonical SMILES for [2-(oxomethylidene)hydrazinyl] nitrate is O=C=NNO[N+](=O)[O-].
What is the InChIKey of [2-(oxomethylidene)hydrazinyl] nitrate?
The InChIKey is SRTKPMGAWZTCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/CHN3O4/c5-1-2-3-8-4(6)7/h3H.
What are the key properties of [2-(oxomethylidene)hydrazinyl] nitrate?
[2-(oxomethylidene)hydrazinyl] nitrate has a molecular weight of 119.04 g/mol, XLogP of -1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxomethylidene)hydrazinyl] nitrate is sourced from PubChem (CID 141070368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).