dimethyl(2-oxoethyl)azanium chloride

C4H10ClNO — CID 22267132

IUPACdimethyl(2-oxoethyl)azanium chloride
SMILESC[NH+](C)CC=O.[Cl-]
InChIInChI=1S/C4H9NO.ClH/c1-5(2)3-4-6;/h4H,3H2,1-2H3;1H
InChIKeyVUFMJROCMFQILX-UHFFFAOYSA-N
MW123.58 g/mol
LogP-4.67
Rot. Bonds2

About dimethyl(2-oxoethyl)azanium chloride

dimethyl(2-oxoethyl)azanium chloride (PubChem CID 22267132) has the molecular formula C4H10ClNO and a molecular weight of 123.58 g/mol. Its IUPAC name is dimethyl(2-oxoethyl)azanium chloride.

Molecular Properties

Compound Namedimethyl(2-oxoethyl)azanium chloride
PubChem CID22267132
Molecular FormulaC4H10ClNO
Molecular Weight123.58 g/mol
Exact Mass123.05
IUPAC Namedimethyl(2-oxoethyl)azanium chloride
SMILESC[NH+](C)CC=O.[Cl-]
InChIInChI=1S/C4H9NO.ClH/c1-5(2)3-4-6;/h4H,3H2,1-2H3;1H
InChIKeyVUFMJROCMFQILX-UHFFFAOYSA-N
XLogP-4.67
TPSA21.51 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.58
LogP ≤ 5-4.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl(2-oxoethyl)azanium chloride?
The IUPAC name of dimethyl(2-oxoethyl)azanium chloride (CID 22267132) is dimethyl(2-oxoethyl)azanium chloride.
What is the SMILES notation for dimethyl(2-oxoethyl)azanium chloride?
The canonical SMILES for dimethyl(2-oxoethyl)azanium chloride is C[NH+](C)CC=O.[Cl-].
What is the InChIKey of dimethyl(2-oxoethyl)azanium chloride?
The InChIKey is VUFMJROCMFQILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.ClH/c1-5(2)3-4-6;/h4H,3H2,1-2H3;1H.
What are the key properties of dimethyl(2-oxoethyl)azanium chloride?
dimethyl(2-oxoethyl)azanium chloride has a molecular weight of 123.58 g/mol, XLogP of -4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(2-oxoethyl)azanium chloride is sourced from PubChem (CID 22267132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).