(2R)-2-methylmorpholin-4-ium-3-one

C5H10NO2+ — CID 144759971

IUPAC(2R)-2-methylmorpholin-4-ium-3-one
SMILESC[C@H]1OCC[NH2+]C1=O
InChIInChI=1S/C5H9NO2/c1-4-5(7)6-2-3-8-4/h4H,2-3H2,1H3,(H,6,7)/p+1/t4-/m1/s1
InChIKeyLEGKNUIZNFTVBI-SCSAIBSYSA-O
MW116.14 g/mol
LogP-1.50
Rot. Bonds

About (2R)-2-methylmorpholin-4-ium-3-one

(2R)-2-methylmorpholin-4-ium-3-one (PubChem CID 144759971) has the molecular formula C5H10NO2+ and a molecular weight of 116.14 g/mol. Its IUPAC name is (2R)-2-methylmorpholin-4-ium-3-one.

Molecular Properties

Compound Name(2R)-2-methylmorpholin-4-ium-3-one
PubChem CID144759971
Molecular FormulaC5H10NO2+
Molecular Weight116.14 g/mol
Exact Mass116.07
IUPAC Name(2R)-2-methylmorpholin-4-ium-3-one
SMILESC[C@H]1OCC[NH2+]C1=O
InChIInChI=1S/C5H9NO2/c1-4-5(7)6-2-3-8-4/h4H,2-3H2,1H3,(H,6,7)/p+1/t4-/m1/s1
InChIKeyLEGKNUIZNFTVBI-SCSAIBSYSA-O
XLogP-1.50
TPSA42.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.14
LogP ≤ 5-1.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methylpyrrolidin-1-ium-2-one
CID 146979991
2-methyloxan-3-one
CID 11073379
2,2-dimethylmorpholin-4-ium-3-one
CID 144760033
2,4-dimethyloxepan-3-one
CID 19870825
(2S)-2,4-dimethylmorpholin-3-one
CID 163399028
3-(2,2-dimethylpropyl)pyrrolidin-1-ium-2-one
CID 147196246
3,6-dimethyl-1,4-dioxane-2,5-dione;oxirane
CID 87489456
4-tert-butyl-2-methylmorpholin-3-one
CID 123264039
(5S)-3,5-dimethyl-1,3-oxazolidin-4-one
CID 13182525
(3R)-3-methyloxan-2-one
CID 11804714
4-methyloxetan-2-one;oxetan-2-one
CID 22715627
3,6-dimethyl-1,4-dioxane-2,5-dione;(3S,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione;(3R,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione;(3R,6R)-3,6-dimethyl-1,4-dioxane-2,5-dione
CID 163835572

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methylmorpholin-4-ium-3-one?
The IUPAC name of (2R)-2-methylmorpholin-4-ium-3-one (CID 144759971) is (2R)-2-methylmorpholin-4-ium-3-one.
What is the SMILES notation for (2R)-2-methylmorpholin-4-ium-3-one?
The canonical SMILES for (2R)-2-methylmorpholin-4-ium-3-one is C[C@H]1OCC[NH2+]C1=O.
What is the InChIKey of (2R)-2-methylmorpholin-4-ium-3-one?
The InChIKey is LEGKNUIZNFTVBI-SCSAIBSYSA-O. The full InChI is InChI=1S/C5H9NO2/c1-4-5(7)6-2-3-8-4/h4H,2-3H2,1H3,(H,6,7)/p+1/t4-/m1/s1.
What are the key properties of (2R)-2-methylmorpholin-4-ium-3-one?
(2R)-2-methylmorpholin-4-ium-3-one has a molecular weight of 116.14 g/mol, XLogP of -1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methylmorpholin-4-ium-3-one is sourced from PubChem (CID 144759971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).