azanium;ethene;perchlorate

C2H8ClNO4 — CID 22253710

IUPACazanium;ethene;perchlorate
SMILESC=C.[NH4+].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C2H4.ClHO4.H3N/c1-2;2-1(3,4)5;/h1-2H2;(H,2,3,4,5);1H3
InChIKeyXLWXQCOFLCXPDC-UHFFFAOYSA-N
MW145.54 g/mol
LogP-3.58
Rot. Bonds

About azanium;ethene;perchlorate

azanium;ethene;perchlorate (PubChem CID 22253710) has the molecular formula C2H8ClNO4 and a molecular weight of 145.54 g/mol. Its IUPAC name is azanium;ethene;perchlorate.

Molecular Properties

Compound Nameazanium;ethene;perchlorate
PubChem CID22253710
Molecular FormulaC2H8ClNO4
Molecular Weight145.54 g/mol
Exact Mass145.01
IUPAC Nameazanium;ethene;perchlorate
SMILESC=C.[NH4+].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C2H4.ClHO4.H3N/c1-2;2-1(3,4)5;/h1-2H2;(H,2,3,4,5);1H3
InChIKeyXLWXQCOFLCXPDC-UHFFFAOYSA-N
XLogP-3.58
TPSA128.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.54
LogP ≤ 5-3.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 azanium;ethene;perchlorate?
The IUPAC name of azanium;ethene;perchlorate (CID 22253710) is azanium;ethene;perchlorate.
What is the SMILES notation for azanium;ethene;perchlorate?
The canonical SMILES for azanium;ethene;perchlorate is C=C.[NH4+].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of azanium;ethene;perchlorate?
The InChIKey is XLWXQCOFLCXPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4.ClHO4.H3N/c1-2;2-1(3,4)5;/h1-2H2;(H,2,3,4,5);1H3.
What are the key properties of azanium;ethene;perchlorate?
azanium;ethene;perchlorate has a molecular weight of 145.54 g/mol, XLogP of -3.58, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;ethene;perchlorate is sourced from PubChem (CID 22253710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).