acetyl(trimethyl)azanium chloride

C5H12ClNO — CID 22572290

IUPACacetyl(trimethyl)azanium chloride
SMILESCC(=O)[N+](C)(C)C.[Cl-]
InChIInChI=1S/C5H12NO.ClH/c1-5(7)6(2,3)4;/h1-4H3;1H/q+1;/p-1
InChIKeyZRXQJVNCDGGNMV-UHFFFAOYSA-M
MW137.61 g/mol
LogP-2.76
Rot. Bonds

About acetyl(trimethyl)azanium chloride

acetyl(trimethyl)azanium chloride (PubChem CID 22572290) has the molecular formula C5H12ClNO and a molecular weight of 137.61 g/mol. Its IUPAC name is acetyl(trimethyl)azanium chloride.

Molecular Properties

Compound Nameacetyl(trimethyl)azanium chloride
PubChem CID22572290
Molecular FormulaC5H12ClNO
Molecular Weight137.61 g/mol
Exact Mass137.06
IUPAC Nameacetyl(trimethyl)azanium chloride
SMILESCC(=O)[N+](C)(C)C.[Cl-]
InChIInChI=1S/C5H12NO.ClH/c1-5(7)6(2,3)4;/h1-4H3;1H/q+1;/p-1
InChIKeyZRXQJVNCDGGNMV-UHFFFAOYSA-M
XLogP-2.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.61
LogP ≤ 5-2.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

Dimethylacetamide
CID 31374
N,N-Diethylacetamide
CID 12703
Propanamide, N,N-dimethyl-
CID 12965
N,N-Dimethylacetamide-d9
CID 22789542
2-Iodo-N,N-dimethylacetamide
CID 52050
N,N-dimethylbut-2-ynamide
CID 549168
N-Ethyl-N-methylacetamide
CID 13390905
N,N-bis(chloromethyl)acetamide
CID 62113
N,N-Dimethyl(~13~C_2_)acetamide
CID 71308854
Acetyltrimethylammonium bromide
CID 21377
N,N-Dimethylacetamide--water (1/1)
CID 21534740
Acetamide, N,N-dimethyl-, hydrochloride
CID 523006

Frequently Asked Questions

What is the IUPAC name of acetyl(trimethyl)azanium chloride?
The IUPAC name of acetyl(trimethyl)azanium chloride (CID 22572290) is acetyl(trimethyl)azanium chloride.
What is the SMILES notation for acetyl(trimethyl)azanium chloride?
The canonical SMILES for acetyl(trimethyl)azanium chloride is CC(=O)[N+](C)(C)C.[Cl-].
What is the InChIKey of acetyl(trimethyl)azanium chloride?
The InChIKey is ZRXQJVNCDGGNMV-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H12NO.ClH/c1-5(7)6(2,3)4;/h1-4H3;1H/q+1;/p-1.
What are the key properties of acetyl(trimethyl)azanium chloride?
acetyl(trimethyl)azanium chloride has a molecular weight of 137.61 g/mol, XLogP of -2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl(trimethyl)azanium chloride is sourced from PubChem (CID 22572290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).