N-methylidenehydroxylamine;nitric acid

CH4N2O4 — CID 88514095

IUPACN-methylidenehydroxylamine;nitric acid
SMILESC=NO.O=[N+]([O-])O
InChIInChI=1S/CH3NO.HNO3/c1-2-3;2-1(3)4/h3H,1H2;(H,2,3,4)
InChIKeyYSGAMWDMAFEJTH-UHFFFAOYSA-N
MW108.05 g/mol
LogP-0.27
Rot. Bonds

About N-methylidenehydroxylamine;nitric acid

N-methylidenehydroxylamine;nitric acid (PubChem CID 88514095) has the molecular formula CH4N2O4 and a molecular weight of 108.05 g/mol. Its IUPAC name is N-methylidenehydroxylamine;nitric acid.

Molecular Properties

Compound NameN-methylidenehydroxylamine;nitric acid
PubChem CID88514095
Molecular FormulaCH4N2O4
Molecular Weight108.05 g/mol
Exact Mass108.02
IUPAC NameN-methylidenehydroxylamine;nitric acid
SMILESC=NO.O=[N+]([O-])O
InChIInChI=1S/CH3NO.HNO3/c1-2-3;2-1(3)4/h3H,1H2;(H,2,3,4)
InChIKeyYSGAMWDMAFEJTH-UHFFFAOYSA-N
XLogP-0.27
TPSA95.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.05
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

nitric acid;nitrous acid;hydrochloride
CID 173075414
azane;ethene;nitric acid
CID 175531507
nitric acid;dodecahydrate
CID 172786901
tris(nitric acid);hexahydrate
CID 161328835
nickel;nitric acid
CID 157159085
azane;tetrakis(nitric acid)
CID 173388272
azane;decakis(nitric acid)
CID 173055393
cadmium;bis(nitric acid)
CID 72833329
tripentacontapotassium;pentakis(nitric acid)
CID 173441316
azane;(nitric acid)
CID 173431766
CID 173018650
CID 173018650
einsteinium;tris(nitric acid)
CID 131879224

Frequently Asked Questions

What is the IUPAC name of N-methylidenehydroxylamine;nitric acid?
The IUPAC name of N-methylidenehydroxylamine;nitric acid (CID 88514095) is N-methylidenehydroxylamine;nitric acid.
What is the SMILES notation for N-methylidenehydroxylamine;nitric acid?
The canonical SMILES for N-methylidenehydroxylamine;nitric acid is C=NO.O=[N+]([O-])O.
What is the InChIKey of N-methylidenehydroxylamine;nitric acid?
The InChIKey is YSGAMWDMAFEJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3NO.HNO3/c1-2-3;2-1(3)4/h3H,1H2;(H,2,3,4).
What are the key properties of N-methylidenehydroxylamine;nitric acid?
N-methylidenehydroxylamine;nitric acid has a molecular weight of 108.05 g/mol, XLogP of -0.27, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylidenehydroxylamine;nitric acid is sourced from PubChem (CID 88514095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).