acetylazanium

C2H6NO+ — CID 5231230

IUPACacetylazanium
SMILESCC([NH3+])=O
InChIInChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)/p+1
InChIKeyDLFVBJFMPXGRIB-UHFFFAOYSA-O
MW60.08 g/mol
LogP-1.23
Rot. Bonds

About acetylazanium

acetylazanium (PubChem CID 5231230) has the molecular formula C2H6NO+ and a molecular weight of 60.08 g/mol. Its IUPAC name is acetylazanium.

Molecular Properties

Compound Nameacetylazanium
PubChem CID5231230
Molecular FormulaC2H6NO+
Molecular Weight60.08 g/mol
Exact Mass60.04
IUPAC Nameacetylazanium
SMILESCC([NH3+])=O
InChIInChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)/p+1
InChIKeyDLFVBJFMPXGRIB-UHFFFAOYSA-O
XLogP-1.23
TPSA44.71 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50060.08
LogP ≤ 5-1.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of acetylazanium?
The IUPAC name of acetylazanium (CID 5231230) is acetylazanium.
What is the SMILES notation for acetylazanium?
The canonical SMILES for acetylazanium is CC([NH3+])=O.
What is the InChIKey of acetylazanium?
The InChIKey is DLFVBJFMPXGRIB-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)/p+1.
What are the key properties of acetylazanium?
acetylazanium has a molecular weight of 60.08 g/mol, XLogP of -1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetylazanium is sourced from PubChem (CID 5231230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).