2,2-dimethylmorpholin-4-ium-3-one

C6H12NO2+ — CID 144760033

IUPAC2,2-dimethylmorpholin-4-ium-3-one
SMILESCC1(C)OCC[NH2+]C1=O
InChIInChI=1S/C6H11NO2/c1-6(2)5(8)7-3-4-9-6/h3-4H2,1-2H3,(H,7,8)/p+1
InChIKeyXWWFCUIIFIMRQE-UHFFFAOYSA-O
MW130.17 g/mol
LogP-1.11
Rot. Bonds

About 2,2-dimethylmorpholin-4-ium-3-one

2,2-dimethylmorpholin-4-ium-3-one (PubChem CID 144760033) has the molecular formula C6H12NO2+ and a molecular weight of 130.17 g/mol. Its IUPAC name is 2,2-dimethylmorpholin-4-ium-3-one.

Molecular Properties

Compound Name2,2-dimethylmorpholin-4-ium-3-one
PubChem CID144760033
Molecular FormulaC6H12NO2+
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Name2,2-dimethylmorpholin-4-ium-3-one
SMILESCC1(C)OCC[NH2+]C1=O
InChIInChI=1S/C6H11NO2/c1-6(2)5(8)7-3-4-9-6/h3-4H2,1-2H3,(H,7,8)/p+1
InChIKeyXWWFCUIIFIMRQE-UHFFFAOYSA-O
XLogP-1.11
TPSA42.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 5-1.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyloxolan-3-one
CID 13010294
(2R)-2-methylmorpholin-4-ium-3-one
CID 144759971
4-hydroxy-2,2,4-trimethyloxan-3-one
CID 14977611
3-amino-3-methyloxan-2-one;hydrochloride
CID 19437229
4-amino-2,2-dimethyloxolan-3-one
CID 126990472
4-iodo-4-methyldioxan-3-one
CID 118558101
(3S)-3-bromo-3-methyloxolan-2-one
CID 15939456
(1R,5R)-1-methyl-2,8-dioxabicyclo[3.2.1]octan-7-one
CID 101246909
5-hydroxy-2,2-dimethyloxolan-3-one
CID 53438929
3,3-dimethyl-oxacyclopentadecan-2-one
CID 71147227
2,2-dimethylcyclopentane-1,3-dione;9,9-dimethyl-1,4-dioxaspiro[4.4]nonan-8-one
CID 158688642
4,5-dimethyl-5-(2-methylprop-1-enyl)oxolan-2-one
CID 539051

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylmorpholin-4-ium-3-one?
The IUPAC name of 2,2-dimethylmorpholin-4-ium-3-one (CID 144760033) is 2,2-dimethylmorpholin-4-ium-3-one.
What is the SMILES notation for 2,2-dimethylmorpholin-4-ium-3-one?
The canonical SMILES for 2,2-dimethylmorpholin-4-ium-3-one is CC1(C)OCC[NH2+]C1=O.
What is the InChIKey of 2,2-dimethylmorpholin-4-ium-3-one?
The InChIKey is XWWFCUIIFIMRQE-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H11NO2/c1-6(2)5(8)7-3-4-9-6/h3-4H2,1-2H3,(H,7,8)/p+1.
What are the key properties of 2,2-dimethylmorpholin-4-ium-3-one?
2,2-dimethylmorpholin-4-ium-3-one has a molecular weight of 130.17 g/mol, XLogP of -1.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylmorpholin-4-ium-3-one is sourced from PubChem (CID 144760033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).