ethylazanium;ethyl carbonate

C5H13NO3 — CID 87175187

IUPACethylazanium;ethyl carbonate
SMILESCCOC(=O)[O-].CC[NH3+]
InChIInChI=1S/C3H6O3.C2H7N/c1-2-6-3(4)5;1-2-3/h2H2,1H3,(H,4,5);2-3H2,1H3
InChIKeyWAAUVORLARCBAF-UHFFFAOYSA-N
MW135.16 g/mol
LogP-1.39
Rot. Bonds1

About ethylazanium;ethyl carbonate

ethylazanium;ethyl carbonate (PubChem CID 87175187) has the molecular formula C5H13NO3 and a molecular weight of 135.16 g/mol. Its IUPAC name is ethylazanium;ethyl carbonate.

Molecular Properties

Compound Nameethylazanium;ethyl carbonate
PubChem CID87175187
Molecular FormulaC5H13NO3
Molecular Weight135.16 g/mol
Exact Mass135.09
IUPAC Nameethylazanium;ethyl carbonate
SMILESCCOC(=O)[O-].CC[NH3+]
InChIInChI=1S/C3H6O3.C2H7N/c1-2-6-3(4)5;1-2-3/h2H2,1H3,(H,4,5);2-3H2,1H3
InChIKeyWAAUVORLARCBAF-UHFFFAOYSA-N
XLogP-1.39
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 5-1.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethylazanium;ethyl carbonate?
The IUPAC name of ethylazanium;ethyl carbonate (CID 87175187) is ethylazanium;ethyl carbonate.
What is the SMILES notation for ethylazanium;ethyl carbonate?
The canonical SMILES for ethylazanium;ethyl carbonate is CCOC(=O)[O-].CC[NH3+].
What is the InChIKey of ethylazanium;ethyl carbonate?
The InChIKey is WAAUVORLARCBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3.C2H7N/c1-2-6-3(4)5;1-2-3/h2H2,1H3,(H,4,5);2-3H2,1H3.
What are the key properties of ethylazanium;ethyl carbonate?
ethylazanium;ethyl carbonate has a molecular weight of 135.16 g/mol, XLogP of -1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethylazanium;ethyl carbonate is sourced from PubChem (CID 87175187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).