acetyl(trimethyl)azanium

C5H12NO+ — CID 21378

IUPACacetyl(trimethyl)azanium
SMILESCC(=O)[N+](C)(C)C
InChIInChI=1S/C5H12NO/c1-5(7)6(2,3)4/h1-4H3/q+1
InChIKeyMIVSDYNOAUEJHI-UHFFFAOYSA-N
MW102.16 g/mol
LogP0.24
Rot. Bonds

About acetyl(trimethyl)azanium

acetyl(trimethyl)azanium (PubChem CID 21378) has the molecular formula C5H12NO+ and a molecular weight of 102.16 g/mol. Its IUPAC name is acetyl(trimethyl)azanium.

Molecular Properties

Compound Nameacetyl(trimethyl)azanium
PubChem CID21378
Molecular FormulaC5H12NO+
Molecular Weight102.16 g/mol
Exact Mass102.09
IUPAC Nameacetyl(trimethyl)azanium
SMILESCC(=O)[N+](C)(C)C
InChIInChI=1S/C5H12NO/c1-5(7)6(2,3)4/h1-4H3/q+1
InChIKeyMIVSDYNOAUEJHI-UHFFFAOYSA-N
XLogP0.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.16
LogP ≤ 50.24
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-Methyldiacetamide
CID 14214
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-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?
The IUPAC name of acetyl(trimethyl)azanium (CID 21378) is acetyl(trimethyl)azanium.
What is the SMILES notation for acetyl(trimethyl)azanium?
The canonical SMILES for acetyl(trimethyl)azanium is CC(=O)[N+](C)(C)C.
What is the InChIKey of acetyl(trimethyl)azanium?
The InChIKey is MIVSDYNOAUEJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO/c1-5(7)6(2,3)4/h1-4H3/q+1.
What are the key properties of acetyl(trimethyl)azanium?
acetyl(trimethyl)azanium has a molecular weight of 102.16 g/mol, XLogP of 0.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl(trimethyl)azanium is sourced from PubChem (CID 21378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).