molecular nitrogen;nitromethane

CH3N3O2 — CID 141240049

IUPACmolecular nitrogen;nitromethane
SMILESC[N+](=O)[O-].N#N
InChIInChI=1S/CH3NO2.N2/c1-2(3)4;1-2/h1H3;
InChIKeyOZXMYLSTGXZNJH-UHFFFAOYSA-N
MW89.05 g/mol
LogP-0.08
Rot. Bonds

About molecular nitrogen;nitromethane

molecular nitrogen;nitromethane (PubChem CID 141240049) has the molecular formula CH3N3O2 and a molecular weight of 89.05 g/mol. Its IUPAC name is molecular nitrogen;nitromethane.

Molecular Properties

Compound Namemolecular nitrogen;nitromethane
PubChem CID141240049
Molecular FormulaCH3N3O2
Molecular Weight89.05 g/mol
Exact Mass89.02
IUPAC Namemolecular nitrogen;nitromethane
SMILESC[N+](=O)[O-].N#N
InChIInChI=1S/CH3NO2.N2/c1-2(3)4;1-2/h1H3;
InChIKeyOZXMYLSTGXZNJH-UHFFFAOYSA-N
XLogP-0.08
TPSA90.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.05
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', '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

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Frequently Asked Questions

What is the IUPAC name of molecular nitrogen;nitromethane?
The IUPAC name of molecular nitrogen;nitromethane (CID 141240049) is molecular nitrogen;nitromethane.
What is the SMILES notation for molecular nitrogen;nitromethane?
The canonical SMILES for molecular nitrogen;nitromethane is C[N+](=O)[O-].N#N.
What is the InChIKey of molecular nitrogen;nitromethane?
The InChIKey is OZXMYLSTGXZNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3NO2.N2/c1-2(3)4;1-2/h1H3;.
What are the key properties of molecular nitrogen;nitromethane?
molecular nitrogen;nitromethane has a molecular weight of 89.05 g/mol, XLogP of -0.08, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for molecular nitrogen;nitromethane is sourced from PubChem (CID 141240049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).