azanium;ethene;hydrogen carbonate

C7H17NO3 — CID 157052056

IUPACazanium;ethene;hydrogen carbonate
SMILESC=C.C=C.C=C.O=C([O-])O.[NH4+]
InChIInChI=1S/3C2H4.CH2O3.H3N/c3*1-2;2-1(3)4;/h3*1-2H2;(H2,2,3,4);1H3
InChIKeyAAHZWYHATAPNNN-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.67
Rot. Bonds

About azanium;ethene;hydrogen carbonate

azanium;ethene;hydrogen carbonate (PubChem CID 157052056) has the molecular formula C7H17NO3 and a molecular weight of 163.22 g/mol. Its IUPAC name is azanium;ethene;hydrogen carbonate.

Molecular Properties

Compound Nameazanium;ethene;hydrogen carbonate
PubChem CID157052056
Molecular FormulaC7H17NO3
Molecular Weight163.22 g/mol
Exact Mass163.12
IUPAC Nameazanium;ethene;hydrogen carbonate
SMILESC=C.C=C.C=C.O=C([O-])O.[NH4+]
InChIInChI=1S/3C2H4.CH2O3.H3N/c3*1-2;2-1(3)4;/h3*1-2H2;(H2,2,3,4);1H3
InChIKeyAAHZWYHATAPNNN-UHFFFAOYSA-N
XLogP1.67
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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;hydrogen carbonate?
The IUPAC name of azanium;ethene;hydrogen carbonate (CID 157052056) is azanium;ethene;hydrogen carbonate.
What is the SMILES notation for azanium;ethene;hydrogen carbonate?
The canonical SMILES for azanium;ethene;hydrogen carbonate is C=C.C=C.C=C.O=C([O-])O.[NH4+].
What is the InChIKey of azanium;ethene;hydrogen carbonate?
The InChIKey is AAHZWYHATAPNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2H4.CH2O3.H3N/c3*1-2;2-1(3)4;/h3*1-2H2;(H2,2,3,4);1H3.
What are the key properties of azanium;ethene;hydrogen carbonate?
azanium;ethene;hydrogen carbonate has a molecular weight of 163.22 g/mol, XLogP of 1.67, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;ethene;hydrogen carbonate is sourced from PubChem (CID 157052056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).