acetyl(trimethyl)azanium bromide

C5H12BrNO — CID 21377

IUPACacetyl(trimethyl)azanium bromide
SMILESCC(=O)[N+](C)(C)C.[Br-]
InChIInChI=1S/C5H12NO.BrH/c1-5(7)6(2,3)4;/h1-4H3;1H/q+1;/p-1
InChIKeyYRRFBANPGRXQNJ-UHFFFAOYSA-M
MW182.06 g/mol
LogP-2.76
Rot. Bonds

About acetyl(trimethyl)azanium bromide

acetyl(trimethyl)azanium bromide (PubChem CID 21377) has the molecular formula C5H12BrNO and a molecular weight of 182.06 g/mol. Its IUPAC name is acetyl(trimethyl)azanium bromide.

Molecular Properties

Compound Nameacetyl(trimethyl)azanium bromide
PubChem CID21377
Molecular FormulaC5H12BrNO
Molecular Weight182.06 g/mol
Exact Mass181.01
IUPAC Nameacetyl(trimethyl)azanium bromide
SMILESCC(=O)[N+](C)(C)C.[Br-]
InChIInChI=1S/C5H12NO.BrH/c1-5(7)6(2,3)4;/h1-4H3;1H/q+1;/p-1
InChIKeyYRRFBANPGRXQNJ-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 ≤ 500182.06
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

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2-Iodo-N,N-dimethylacetamide
CID 52050
N,N-dimethylbut-2-ynamide
CID 549168
N-Ethyl-N-methylacetamide
CID 13390905
2-Bromo-N,N-dimethylacetamide
CID 225544
N,N-Dimethyl(~13~C_2_)acetamide
CID 71308854
N,N-Dimethylacetamide--water (1/1)
CID 21534740
Acetamide, N,N-dimethyl-, hydrochloride
CID 523006
N-Methoxymethyl-N-methylacetamide
CID 542250

Frequently Asked Questions

What is the IUPAC name of acetyl(trimethyl)azanium bromide?
The IUPAC name of acetyl(trimethyl)azanium bromide (CID 21377) is acetyl(trimethyl)azanium bromide.
What is the SMILES notation for acetyl(trimethyl)azanium bromide?
The canonical SMILES for acetyl(trimethyl)azanium bromide is CC(=O)[N+](C)(C)C.[Br-].
What is the InChIKey of acetyl(trimethyl)azanium bromide?
The InChIKey is YRRFBANPGRXQNJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H12NO.BrH/c1-5(7)6(2,3)4;/h1-4H3;1H/q+1;/p-1.
What are the key properties of acetyl(trimethyl)azanium bromide?
acetyl(trimethyl)azanium bromide has a molecular weight of 182.06 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 bromide is sourced from PubChem (CID 21377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).