azane;carbon dioxide;ethene;methane;hydrate

C4H13NO3 — CID 172744439

IUPACazane;carbon dioxide;ethene;methane;hydrate
SMILESC.C=C.N.O.O=C=O
InChIInChI=1S/C2H4.CO2.CH4.H3N.H2O/c1-2;2-1-3;;;/h1-2H2;;1H4;1H3;1H2
InChIKeyWUSBIMOFYLZMNQ-UHFFFAOYSA-N
MW123.15 g/mol
LogP0.19
Rot. Bonds

About azane;carbon dioxide;ethene;methane;hydrate

azane;carbon dioxide;ethene;methane;hydrate (PubChem CID 172744439) has the molecular formula C4H13NO3 and a molecular weight of 123.15 g/mol. Its IUPAC name is azane;carbon dioxide;ethene;methane;hydrate.

Molecular Properties

Compound Nameazane;carbon dioxide;ethene;methane;hydrate
PubChem CID172744439
Molecular FormulaC4H13NO3
Molecular Weight123.15 g/mol
Exact Mass123.09
IUPAC Nameazane;carbon dioxide;ethene;methane;hydrate
SMILESC.C=C.N.O.O=C=O
InChIInChI=1S/C2H4.CO2.CH4.H3N.H2O/c1-2;2-1-3;;;/h1-2H2;;1H4;1H3;1H2
InChIKeyWUSBIMOFYLZMNQ-UHFFFAOYSA-N
XLogP0.19
TPSA100.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azane;carbon dioxide;ethene;methane;hydrate?
The IUPAC name of azane;carbon dioxide;ethene;methane;hydrate (CID 172744439) is azane;carbon dioxide;ethene;methane;hydrate.
What is the SMILES notation for azane;carbon dioxide;ethene;methane;hydrate?
The canonical SMILES for azane;carbon dioxide;ethene;methane;hydrate is C.C=C.N.O.O=C=O.
What is the InChIKey of azane;carbon dioxide;ethene;methane;hydrate?
The InChIKey is WUSBIMOFYLZMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4.CO2.CH4.H3N.H2O/c1-2;2-1-3;;;/h1-2H2;;1H4;1H3;1H2.
What are the key properties of azane;carbon dioxide;ethene;methane;hydrate?
azane;carbon dioxide;ethene;methane;hydrate has a molecular weight of 123.15 g/mol, XLogP of 0.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;carbon dioxide;ethene;methane;hydrate is sourced from PubChem (CID 172744439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).