1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]pyrrolidine-2,5-dione

C13H22N2O4 — CID 114779883

IUPAC1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]pyrrolidine-2,5-dione
SMILESCC1(C)CN(CCN2C(=O)CCC2=O)CC(CO)O1
InChIInChI=1S/C13H22N2O4/c1-13(2)9-14(7-10(8-16)19-13)5-6-15-11(17)3-4-12(15)18/h10,16H,3-9H2,1-2H3
InChIKeyLWJWASUQBPIXBA-UHFFFAOYSA-N
MW270.33 g/mol
LogP-0.39
Rot. Bonds4

About 1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]pyrrolidine-2,5-dione

1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]pyrrolidine-2,5-dione (PubChem CID 114779883) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]pyrrolidine-2,5-dione
PubChem CID114779883
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]pyrrolidine-2,5-dione
SMILESCC1(C)CN(CCN2C(=O)CCC2=O)CC(CO)O1
InChIInChI=1S/C13H22N2O4/c1-13(2)9-14(7-10(8-16)19-13)5-6-15-11(17)3-4-12(15)18/h10,16H,3-9H2,1-2H3
InChIKeyLWJWASUQBPIXBA-UHFFFAOYSA-N
XLogP-0.39
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]imidazolidine-2,4-dione
CID 114779631
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanol
CID 114779184
[4-(2-aminoethyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114776413
(6,6-dimethyl-4-octylmorpholin-2-yl)methanol
CID 114779668
[6,6-dimethyl-4-(2-phenylethyl)morpholin-2-yl]methanol
CID 114779799
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]acetamide
CID 114779554
1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]triazole-4-carboxylic acid
CID 114777344
(2R)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propan-2-ol
CID 106932913
(6,6-dimethyl-4-prop-2-enylmorpholin-2-yl)methanol
CID 114779640
[4-[(5,5-dimethyloxolan-2-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114780051
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-morpholin-4-ylethanone
CID 114779666
1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]triazole-4-carbohydrazide
CID 114781911

Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]pyrrolidine-2,5-dione (CID 114779883) is 1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]pyrrolidine-2,5-dione is CC1(C)CN(CCN2C(=O)CCC2=O)CC(CO)O1.
What is the InChIKey of 1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]pyrrolidine-2,5-dione?
The InChIKey is LWJWASUQBPIXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-13(2)9-14(7-10(8-16)19-13)5-6-15-11(17)3-4-12(15)18/h10,16H,3-9H2,1-2H3.
What are the key properties of 1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]pyrrolidine-2,5-dione?
1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]pyrrolidine-2,5-dione has a molecular weight of 270.33 g/mol, XLogP of -0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 114779883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).