5-(hydroxymethyl)-4-methylmorpholin-3-one

C6H11NO3 — CID 57469741

IUPAC5-(hydroxymethyl)-4-methylmorpholin-3-one
SMILESCN1C(=O)COCC1CO
InChIInChI=1S/C6H11NO3/c1-7-5(2-8)3-10-4-6(7)9/h5,8H,2-4H2,1H3
InChIKeyVARQKLKKURHTHL-UHFFFAOYSA-N
MW145.16 g/mol
LogP-1.16
Rot. Bonds1

About 5-(hydroxymethyl)-4-methylmorpholin-3-one

5-(hydroxymethyl)-4-methylmorpholin-3-one (PubChem CID 57469741) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 5-(hydroxymethyl)-4-methylmorpholin-3-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-4-methylmorpholin-3-one
PubChem CID57469741
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name5-(hydroxymethyl)-4-methylmorpholin-3-one
SMILESCN1C(=O)COCC1CO
InChIInChI=1S/C6H11NO3/c1-7-5(2-8)3-10-4-6(7)9/h5,8H,2-4H2,1H3
InChIKeyVARQKLKKURHTHL-UHFFFAOYSA-N
XLogP-1.16
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-1.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Hydroxy-1-(morpholin-4-yl)ethan-1-one
CID 6480484
4-(2-Hydroxyethyl)morpholin-3-one
CID 15287400
(5S)-5-(hydroxymethyl)-4-methylmorpholin-3-one
CID 67078252
(5R)-5-(hydroxymethyl)-4-methylmorpholin-3-one
CID 68949899
(5S)-5-(Hydroxymethyl)morpholine-3-one
CID 86335551
2-ethoxy-1-[(S)-3-(hydroxymethyl)-4-morpholinyl]-1-ethanone
CID 97040136
1-[3-(Hydroxymethyl)morpholin-4-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 103209188
2-Ethoxy-1-(3-(hydroxymethyl)morpholino)ethanone
CID 71785797
4-Methyl-5-ethyl-tetrahydro-1,4-oxazin-3-one
CID 12766109
4-Propan-2-ylmorpholin-3-one
CID 21027200
5-(Hydroxymethyl)morpholin-3-one
CID 25054154
4-(Hydroxymethyl)morpholin-3-one
CID 54148991

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-4-methylmorpholin-3-one?
The IUPAC name of 5-(hydroxymethyl)-4-methylmorpholin-3-one (CID 57469741) is 5-(hydroxymethyl)-4-methylmorpholin-3-one.
What is the SMILES notation for 5-(hydroxymethyl)-4-methylmorpholin-3-one?
The canonical SMILES for 5-(hydroxymethyl)-4-methylmorpholin-3-one is CN1C(=O)COCC1CO.
What is the InChIKey of 5-(hydroxymethyl)-4-methylmorpholin-3-one?
The InChIKey is VARQKLKKURHTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-7-5(2-8)3-10-4-6(7)9/h5,8H,2-4H2,1H3.
What are the key properties of 5-(hydroxymethyl)-4-methylmorpholin-3-one?
5-(hydroxymethyl)-4-methylmorpholin-3-one has a molecular weight of 145.16 g/mol, XLogP of -1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-4-methylmorpholin-3-one is sourced from PubChem (CID 57469741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).