acetyl(dimethyl)azanium

C4H10NO+ — CID 54477624

IUPACacetyl(dimethyl)azanium
SMILESCC(=O)[NH+](C)C
InChIInChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3/p+1
InChIKeyFXHOOIRPVKKKFG-UHFFFAOYSA-O
MW88.13 g/mol
LogP-1.32
Rot. Bonds

About acetyl(dimethyl)azanium

acetyl(dimethyl)azanium (PubChem CID 54477624) has the molecular formula C4H10NO+ and a molecular weight of 88.13 g/mol. Its IUPAC name is acetyl(dimethyl)azanium.

Molecular Properties

Compound Nameacetyl(dimethyl)azanium
PubChem CID54477624
Molecular FormulaC4H10NO+
Molecular Weight88.13 g/mol
Exact Mass88.08
IUPAC Nameacetyl(dimethyl)azanium
SMILESCC(=O)[NH+](C)C
InChIInChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3/p+1
InChIKeyFXHOOIRPVKKKFG-UHFFFAOYSA-O
XLogP-1.32
TPSA21.51 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.13
LogP ≤ 5-1.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of acetyl(dimethyl)azanium?
The IUPAC name of acetyl(dimethyl)azanium (CID 54477624) is acetyl(dimethyl)azanium.
What is the SMILES notation for acetyl(dimethyl)azanium?
The canonical SMILES for acetyl(dimethyl)azanium is CC(=O)[NH+](C)C.
What is the InChIKey of acetyl(dimethyl)azanium?
The InChIKey is FXHOOIRPVKKKFG-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3/p+1.
What are the key properties of acetyl(dimethyl)azanium?
acetyl(dimethyl)azanium has a molecular weight of 88.13 g/mol, XLogP of -1.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl(dimethyl)azanium is sourced from PubChem (CID 54477624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).