N-nitramidonitramide

H2N4O4 — CID 18963690

IUPACN-nitramidonitramide
SMILESO=[N+]([O-])NN[N+](=O)[O-]
InChIInChI=1S/H2N4O4/c5-3(6)1-2-4(7)8/h1-2H
InChIKeyVISMKECFKYCCSM-UHFFFAOYSA-N
MW122.04 g/mol
LogP-1.54
Rot. Bonds3

About N-nitramidonitramide

N-nitramidonitramide (PubChem CID 18963690) has the molecular formula H2N4O4 and a molecular weight of 122.04 g/mol. Its IUPAC name is N-nitramidonitramide.

Molecular Properties

Compound NameN-nitramidonitramide
PubChem CID18963690
Molecular FormulaH2N4O4
Molecular Weight122.04 g/mol
Exact Mass122.01
IUPAC NameN-nitramidonitramide
SMILESO=[N+]([O-])NN[N+](=O)[O-]
InChIInChI=1S/H2N4O4/c5-3(6)1-2-4(7)8/h1-2H
InChIKeyVISMKECFKYCCSM-UHFFFAOYSA-N
XLogP-1.54
TPSA110.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.04
LogP ≤ 5-1.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of N-nitramidonitramide?
The IUPAC name of N-nitramidonitramide (CID 18963690) is N-nitramidonitramide.
What is the SMILES notation for N-nitramidonitramide?
The canonical SMILES for N-nitramidonitramide is O=[N+]([O-])NN[N+](=O)[O-].
What is the InChIKey of N-nitramidonitramide?
The InChIKey is VISMKECFKYCCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/H2N4O4/c5-3(6)1-2-4(7)8/h1-2H.
What are the key properties of N-nitramidonitramide?
N-nitramidonitramide has a molecular weight of 122.04 g/mol, XLogP of -1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-nitramidonitramide is sourced from PubChem (CID 18963690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).