ethene;nitromethane

C3H7NO2 — CID 161480182

IUPACethene;nitromethane
SMILESC=C.C[N+](=O)[O-]
InChIInChI=1S/C2H4.CH3NO2/c1-2;1-2(3)4/h1-2H2;1H3
InChIKeyWEGGMUXQROLOQN-UHFFFAOYSA-N
MW89.09 g/mol
LogP0.70
Rot. Bonds

About ethene;nitromethane

ethene;nitromethane (PubChem CID 161480182) has the molecular formula C3H7NO2 and a molecular weight of 89.09 g/mol. Its IUPAC name is ethene;nitromethane.

Molecular Properties

Compound Nameethene;nitromethane
PubChem CID161480182
Molecular FormulaC3H7NO2
Molecular Weight89.09 g/mol
Exact Mass89.05
IUPAC Nameethene;nitromethane
SMILESC=C.C[N+](=O)[O-]
InChIInChI=1S/C2H4.CH3NO2/c1-2;1-2(3)4/h1-2H2;1H3
InChIKeyWEGGMUXQROLOQN-UHFFFAOYSA-N
XLogP0.70
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.09
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethene;nitromethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

nitromethane;hydroiodide
CID 159753263
molecular nitrogen;nitromethane
CID 141240049
benzene;nitromethane;propane
CID 90897925
CID 174714129
CID 174714129
azane;ethene;nitric acid
CID 175531507
methanesulfonic acid;methylphosphonic acid;nitromethane
CID 159871044
acetic acid;benzene;ethane;nitromethane
CID 91300577
1-nitroethane;nitromethane;2-nitropropane
CID 162226378
nitromethane;oxane
CID 70634859
cobalt(2+);methanol;dinitrate
CID 159896779
2,2-dimethylpropane trinitrate
CID 18674756
europium(3+);methanol;trinitrate
CID 174901506

Frequently Asked Questions

What is the IUPAC name of ethene;nitromethane?
The IUPAC name of ethene;nitromethane (CID 161480182) is ethene;nitromethane.
What is the SMILES notation for ethene;nitromethane?
The canonical SMILES for ethene;nitromethane is C=C.C[N+](=O)[O-].
What is the InChIKey of ethene;nitromethane?
The InChIKey is WEGGMUXQROLOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4.CH3NO2/c1-2;1-2(3)4/h1-2H2;1H3.
What are the key properties of ethene;nitromethane?
ethene;nitromethane has a molecular weight of 89.09 g/mol, XLogP of 0.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;nitromethane is sourced from PubChem (CID 161480182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).