2-hydroxy-1-(2,2,6-trimethylmorpholin-4-yl)ethanone

C9H17NO3 — CID 131155747

IUPAC2-hydroxy-1-(2,2,6-trimethylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CO)CC(C)(C)O1
InChIInChI=1S/C9H17NO3/c1-7-4-10(8(12)5-11)6-9(2,3)13-7/h7,11H,4-6H2,1-3H3
InChIKeyVESHZCJTSKDAGH-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.00
Rot. Bonds1

About 2-hydroxy-1-(2,2,6-trimethylmorpholin-4-yl)ethanone

2-hydroxy-1-(2,2,6-trimethylmorpholin-4-yl)ethanone (PubChem CID 131155747) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-hydroxy-1-(2,2,6-trimethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-hydroxy-1-(2,2,6-trimethylmorpholin-4-yl)ethanone
PubChem CID131155747
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-hydroxy-1-(2,2,6-trimethylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CO)CC(C)(C)O1
InChIInChI=1S/C9H17NO3/c1-7-4-10(8(12)5-11)6-9(2,3)13-7/h7,11H,4-6H2,1-3H3
InChIKeyVESHZCJTSKDAGH-UHFFFAOYSA-N
XLogP0.00
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methoxy(methyl)amino]-1-(2,2,6-trimethylmorpholin-4-yl)ethanone
CID 166255971
2,2-dimethyl-1,5-bis(2,2,6-trimethylmorpholin-4-yl)pentane-1,5-dione
CID 136512690
2-(2,2,2-trifluoroethylamino)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone
CID 78958244
N,N-diethyl-2,2,6-trimethylmorpholine-4-carboxamide
CID 115618659
(1-aminocyclopropyl)-(2,2,6-trimethylmorpholin-4-yl)methanone;hydrochloride
CID 119748927
2-(4-bromophenoxy)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone
CID 48688350
1-methyl-3-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione
CID 48689001
1-(2,2,6-trimethylmorpholin-4-yl)but-2-en-1-one
CID 78976791
(2R)-3-hydroxy-2-[(2,2,6-trimethylmorpholine-4-carbonyl)amino]propanoic acid
CID 80756754
3-bromo-1-(2,2,6-trimethylmorpholin-4-yl)prop-2-yn-1-one
CID 131064900
2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone
CID 97317309
2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethanone
CID 97317308

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(2,2,6-trimethylmorpholin-4-yl)ethanone?
The IUPAC name of 2-hydroxy-1-(2,2,6-trimethylmorpholin-4-yl)ethanone (CID 131155747) is 2-hydroxy-1-(2,2,6-trimethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-hydroxy-1-(2,2,6-trimethylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-hydroxy-1-(2,2,6-trimethylmorpholin-4-yl)ethanone is CC1CN(C(=O)CO)CC(C)(C)O1.
What is the InChIKey of 2-hydroxy-1-(2,2,6-trimethylmorpholin-4-yl)ethanone?
The InChIKey is VESHZCJTSKDAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7-4-10(8(12)5-11)6-9(2,3)13-7/h7,11H,4-6H2,1-3H3.
What are the key properties of 2-hydroxy-1-(2,2,6-trimethylmorpholin-4-yl)ethanone?
2-hydroxy-1-(2,2,6-trimethylmorpholin-4-yl)ethanone has a molecular weight of 187.24 g/mol, XLogP of 0.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(2,2,6-trimethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 131155747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).