diacetyl(dimethyl)azanium

C6H12NO2+ — CID 19356901

IUPACdiacetyl(dimethyl)azanium
SMILESCC(=O)[N+](C)(C)C(C)=O
InChIInChI=1S/C6H12NO2/c1-5(8)7(3,4)6(2)9/h1-4H3/q+1
InChIKeyXVRAKBCQSKEJEB-UHFFFAOYSA-N
MW130.17 g/mol
LogP0.16
Rot. Bonds

About diacetyl(dimethyl)azanium

diacetyl(dimethyl)azanium (PubChem CID 19356901) has the molecular formula C6H12NO2+ and a molecular weight of 130.17 g/mol. Its IUPAC name is diacetyl(dimethyl)azanium.

Molecular Properties

Compound Namediacetyl(dimethyl)azanium
PubChem CID19356901
Molecular FormulaC6H12NO2+
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Namediacetyl(dimethyl)azanium
SMILESCC(=O)[N+](C)(C)C(C)=O
InChIInChI=1S/C6H12NO2/c1-5(8)7(3,4)6(2)9/h1-4H3/q+1
InChIKeyXVRAKBCQSKEJEB-UHFFFAOYSA-N
XLogP0.16
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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
N-Methyldiacetamide
CID 14214
N-Ethyl-N-methylacetamide
CID 13390905
N,N-Dimethylacetamide-d9
CID 22789542
N-Acetyl-N-ethylacetamide
CID 73808
N,N-Dimethyl(~13~C_2_)acetamide
CID 71308854
N,N,N-Triacetylamine
CID 136459
N,N-Dimethylacetamide--water (1/1)
CID 21534740
N-acetyl-N-methylcarbamoyl fluoride
CID 135060543
N-Acetyl-N-propylacetamide
CID 15280
N-Acetyl-N-(1-methylethyl)acetamide
CID 73809

Frequently Asked Questions

What is the IUPAC name of diacetyl(dimethyl)azanium?
The IUPAC name of diacetyl(dimethyl)azanium (CID 19356901) is diacetyl(dimethyl)azanium.
What is the SMILES notation for diacetyl(dimethyl)azanium?
The canonical SMILES for diacetyl(dimethyl)azanium is CC(=O)[N+](C)(C)C(C)=O.
What is the InChIKey of diacetyl(dimethyl)azanium?
The InChIKey is XVRAKBCQSKEJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO2/c1-5(8)7(3,4)6(2)9/h1-4H3/q+1.
What are the key properties of diacetyl(dimethyl)azanium?
diacetyl(dimethyl)azanium has a molecular weight of 130.17 g/mol, XLogP of 0.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diacetyl(dimethyl)azanium is sourced from PubChem (CID 19356901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).