dinitromethanone;hydroxylamine

CH3N3O6 — CID 158323997

IUPACdinitromethanone;hydroxylamine
SMILESNO.O=C([N+](=O)[O-])[N+](=O)[O-]
InChIInChI=1S/CN2O5.H3NO/c4-1(2(5)6)3(7)8;1-2/h;2H,1H2
InChIKeyGPELZDAGKXARMF-UHFFFAOYSA-N
MW153.05 g/mol
LogP-1.01
Rot. Bonds

About dinitromethanone;hydroxylamine

dinitromethanone;hydroxylamine (PubChem CID 158323997) has the molecular formula CH3N3O6 and a molecular weight of 153.05 g/mol. Its IUPAC name is dinitromethanone;hydroxylamine.

Molecular Properties

Compound Namedinitromethanone;hydroxylamine
PubChem CID158323997
Molecular FormulaCH3N3O6
Molecular Weight153.05 g/mol
Exact Mass153.00
IUPAC Namedinitromethanone;hydroxylamine
SMILESNO.O=C([N+](=O)[O-])[N+](=O)[O-]
InChIInChI=1S/CN2O5.H3NO/c4-1(2(5)6)3(7)8;1-2/h;2H,1H2
InChIKeyGPELZDAGKXARMF-UHFFFAOYSA-N
XLogP-1.01
TPSA149.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.05
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of dinitromethanone;hydroxylamine?
The IUPAC name of dinitromethanone;hydroxylamine (CID 158323997) is dinitromethanone;hydroxylamine.
What is the SMILES notation for dinitromethanone;hydroxylamine?
The canonical SMILES for dinitromethanone;hydroxylamine is NO.O=C([N+](=O)[O-])[N+](=O)[O-].
What is the InChIKey of dinitromethanone;hydroxylamine?
The InChIKey is GPELZDAGKXARMF-UHFFFAOYSA-N. The full InChI is InChI=1S/CN2O5.H3NO/c4-1(2(5)6)3(7)8;1-2/h;2H,1H2.
What are the key properties of dinitromethanone;hydroxylamine?
dinitromethanone;hydroxylamine has a molecular weight of 153.05 g/mol, XLogP of -1.01, 0 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dinitromethanone;hydroxylamine is sourced from PubChem (CID 158323997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).