1-nitro-N-oxido-N-oxomethanimidamide

CH3N3O2 — CID 54476770

IUPAC1-nitro-N-oxido-N-oxomethanimidamide
SMILES[H]/N=C(\N)[N+](=O)[O-]
InChIInChI=1S/CH3N3O2/c2-1(3)4(5)6/h(H3,2,3)
InChIKeyXMDBJQOQTPRRJM-UHFFFAOYSA-N
MW89.05 g/mol
LogP-0.84
Rot. Bonds

About 1-nitro-N-oxido-N-oxomethanimidamide

1-nitro-N-oxido-N-oxomethanimidamide (PubChem CID 54476770) has the molecular formula CH3N3O2 and a molecular weight of 89.05 g/mol. Its IUPAC name is 1-nitro-N-oxido-N-oxomethanimidamide.

Molecular Properties

Compound Name1-nitro-N-oxido-N-oxomethanimidamide
PubChem CID54476770
Molecular FormulaCH3N3O2
Molecular Weight89.05 g/mol
Exact Mass89.02
IUPAC Name1-nitro-N-oxido-N-oxomethanimidamide
SMILES[H]/N=C(\N)[N+](=O)[O-]
InChIInChI=1S/CH3N3O2/c2-1(3)4(5)6/h(H3,2,3)
InChIKeyXMDBJQOQTPRRJM-UHFFFAOYSA-N
XLogP-0.84
TPSA93.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.05
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

1-[oxido(oxo)(15N)(15N)azaniumyl]guanidine
CID 135467050
1-nitroethanimine
CID 54158786
3-imino-1-nitroprop-1-ene-1,2-diamine
CID 173484324
bis(nitric acid);triamino(carbamimidoyl)azanium;nitrate
CID 173210946
(E)-4-amino-2-imino-4-nitrobut-3-en-1-ol
CID 166571988
[amino(carbamimidoyloxy)methylidene]azanium nitrate
CID 90476435
carbamimidate;palladium;dichloride
CID 102060497
nitric acid;urea;hexahydrate
CID 175389070
calcium;carbamimidate;dichloride
CID 73456692
(Z)-3-amino-3-methoxy-2-nitroprop-2-enimidoyl chloride
CID 136611783
6,6-dinitrohexa-3,5-dienimidamide
CID 91235769
azane;guanidine;bis(nitric acid)
CID 174540476

Frequently Asked Questions

What is the IUPAC name of 1-nitro-N-oxido-N-oxomethanimidamide?
The IUPAC name of 1-nitro-N-oxido-N-oxomethanimidamide (CID 54476770) is 1-nitro-N-oxido-N-oxomethanimidamide.
What is the SMILES notation for 1-nitro-N-oxido-N-oxomethanimidamide?
The canonical SMILES for 1-nitro-N-oxido-N-oxomethanimidamide is [H]/N=C(\N)[N+](=O)[O-].
What is the InChIKey of 1-nitro-N-oxido-N-oxomethanimidamide?
The InChIKey is XMDBJQOQTPRRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3N3O2/c2-1(3)4(5)6/h(H3,2,3).
What are the key properties of 1-nitro-N-oxido-N-oxomethanimidamide?
1-nitro-N-oxido-N-oxomethanimidamide has a molecular weight of 89.05 g/mol, XLogP of -0.84, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitro-N-oxido-N-oxomethanimidamide is sourced from PubChem (CID 54476770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).