molecular nitrogen;nitrous amide;nitroxyl;nitrate;nitrite

H3N7O7-2 — CID 164955198

IUPACmolecular nitrogen;nitrous amide;nitroxyl;nitrate;nitrite
SMILESN#N.N=O.NN=O.O=N[O-].O=[N+]([O-])[O-]
InChIInChI=1S/H2N2O.N2.NO3.HNO2.HNO/c1-2-3;1-2;2-1(3)4;2-1-3;1-2/h(H2,1,3);;;(H,2,3);1H/q;;-1;;/p-1
InChIKeyZMQJLQVCVTXUIO-UHFFFAOYSA-M
MW213.07 g/mol
LogP-0.00
Rot. Bonds

About molecular nitrogen;nitrous amide;nitroxyl;nitrate;nitrite

molecular nitrogen;nitrous amide;nitroxyl;nitrate;nitrite (PubChem CID 164955198) has the molecular formula H3N7O7-2 and a molecular weight of 213.07 g/mol. Its IUPAC name is molecular nitrogen;nitrous amide;nitroxyl;nitrate;nitrite.

Molecular Properties

Compound Namemolecular nitrogen;nitrous amide;nitroxyl;nitrate;nitrite
PubChem CID164955198
Molecular FormulaH3N7O7-2
Molecular Weight213.07 g/mol
Exact Mass213.01
IUPAC Namemolecular nitrogen;nitrous amide;nitroxyl;nitrate;nitrite
SMILESN#N.N=O.NN=O.O=N[O-].O=[N+]([O-])[O-]
InChIInChI=1S/H2N2O.N2.NO3.HNO2.HNO/c1-2-3;1-2;2-1(3)4;2-1-3;1-2/h(H2,1,3);;;(H,2,3);1H/q;;-1;;/p-1
InChIKeyZMQJLQVCVTXUIO-UHFFFAOYSA-M
XLogP-0.00
TPSA262.64 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500213.07
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of molecular nitrogen;nitrous amide;nitroxyl;nitrate;nitrite?
The IUPAC name of molecular nitrogen;nitrous amide;nitroxyl;nitrate;nitrite (CID 164955198) is molecular nitrogen;nitrous amide;nitroxyl;nitrate;nitrite.
What is the SMILES notation for molecular nitrogen;nitrous amide;nitroxyl;nitrate;nitrite?
The canonical SMILES for molecular nitrogen;nitrous amide;nitroxyl;nitrate;nitrite is N#N.N=O.NN=O.O=N[O-].O=[N+]([O-])[O-].
What is the InChIKey of molecular nitrogen;nitrous amide;nitroxyl;nitrate;nitrite?
The InChIKey is ZMQJLQVCVTXUIO-UHFFFAOYSA-M. The full InChI is InChI=1S/H2N2O.N2.NO3.HNO2.HNO/c1-2-3;1-2;2-1(3)4;2-1-3;1-2/h(H2,1,3);;;(H,2,3);1H/q;;-1;;/p-1.
What are the key properties of molecular nitrogen;nitrous amide;nitroxyl;nitrate;nitrite?
molecular nitrogen;nitrous amide;nitroxyl;nitrate;nitrite has a molecular weight of 213.07 g/mol, XLogP of -0.00, 0 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for molecular nitrogen;nitrous amide;nitroxyl;nitrate;nitrite is sourced from PubChem (CID 164955198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).