acetylazanium chloride

C2H6ClNO — CID 517516

IUPACacetylazanium chloride
SMILESCC([NH3+])=O.[Cl-]
InChIInChI=1S/C2H5NO.ClH/c1-2(3)4;/h1H3,(H2,3,4);1H
InChIKeyAXJDEHNQPMZKOS-UHFFFAOYSA-N
MW95.53 g/mol
LogP-4.22
Rot. Bonds

About acetylazanium chloride

acetylazanium chloride (PubChem CID 517516) has the molecular formula C2H6ClNO and a molecular weight of 95.53 g/mol. Its IUPAC name is acetylazanium chloride.

Molecular Properties

Compound Nameacetylazanium chloride
PubChem CID517516
Molecular FormulaC2H6ClNO
Molecular Weight95.53 g/mol
Exact Mass95.01
IUPAC Nameacetylazanium chloride
SMILESCC([NH3+])=O.[Cl-]
InChIInChI=1S/C2H5NO.ClH/c1-2(3)4;/h1H3,(H2,3,4);1H
InChIKeyAXJDEHNQPMZKOS-UHFFFAOYSA-N
XLogP-4.22
TPSA44.71 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.53
LogP ≤ 5-4.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of acetylazanium chloride?
The IUPAC name of acetylazanium chloride (CID 517516) is acetylazanium chloride.
What is the SMILES notation for acetylazanium chloride?
The canonical SMILES for acetylazanium chloride is CC([NH3+])=O.[Cl-].
What is the InChIKey of acetylazanium chloride?
The InChIKey is AXJDEHNQPMZKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO.ClH/c1-2(3)4;/h1H3,(H2,3,4);1H.
What are the key properties of acetylazanium chloride?
acetylazanium chloride has a molecular weight of 95.53 g/mol, XLogP of -4.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetylazanium chloride is sourced from PubChem (CID 517516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).