N-(oxomethylidene)nitramide

CN2O3 — CID 12807142

IUPACN-(oxomethylidene)nitramide
SMILESO=C=N[N+](=O)[O-]
InChIInChI=1S/CN2O3/c4-1-2-3(5)6
InChIKeyMTCBLMPRPUTXHZ-UHFFFAOYSA-N
MW88.02 g/mol
LogP-0.49
Rot. Bonds1

About N-(oxomethylidene)nitramide

N-(oxomethylidene)nitramide (PubChem CID 12807142) has the molecular formula CN2O3 and a molecular weight of 88.02 g/mol. Its IUPAC name is N-(oxomethylidene)nitramide.

Molecular Properties

Compound NameN-(oxomethylidene)nitramide
PubChem CID12807142
Molecular FormulaCN2O3
Molecular Weight88.02 g/mol
Exact Mass87.99
IUPAC NameN-(oxomethylidene)nitramide
SMILESO=C=N[N+](=O)[O-]
InChIInChI=1S/CN2O3/c4-1-2-3(5)6
InChIKeyMTCBLMPRPUTXHZ-UHFFFAOYSA-N
XLogP-0.49
TPSA72.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.02
LogP ≤ 5-0.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

disodium;N-oxonitramide
CID 10129945
[2-(oxomethylidene)hydrazinyl] nitrate
CID 141070368
2-isocyanato-5-methyl-1,3-dinitrobenzene
CID 169355114
N-methylidenehydroxylamine;nitric acid
CID 88514095
nitric acid;nitrous acid;hydrochloride
CID 173075414
nitrate nitrite
CID 22182872
2,2-dimethylpropane trinitrate
CID 18674756
bismuthane;isocyanatobismuthane
CID 173301787
potassium;dioxouranium(2+);trinitrate
CID 22763673
tetrasilver;tetranitrate
CID 172745321
palladium nitrate
CID 57435577
beryllium dinitrate
CID 26126

Frequently Asked Questions

What is the IUPAC name of N-(oxomethylidene)nitramide?
The IUPAC name of N-(oxomethylidene)nitramide (CID 12807142) is N-(oxomethylidene)nitramide.
What is the SMILES notation for N-(oxomethylidene)nitramide?
The canonical SMILES for N-(oxomethylidene)nitramide is O=C=N[N+](=O)[O-].
What is the InChIKey of N-(oxomethylidene)nitramide?
The InChIKey is MTCBLMPRPUTXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/CN2O3/c4-1-2-3(5)6.
What are the key properties of N-(oxomethylidene)nitramide?
N-(oxomethylidene)nitramide has a molecular weight of 88.02 g/mol, XLogP of -0.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxomethylidene)nitramide is sourced from PubChem (CID 12807142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).