1-[4-(hydroxymethyl)oxan-4-yl]-3,4-dimethylpyrrolidine-2,5-dione

C12H19NO4 — CID 106299559

IUPAC1-[4-(hydroxymethyl)oxan-4-yl]-3,4-dimethylpyrrolidine-2,5-dione
SMILESCC1C(=O)N(C2(CO)CCOCC2)C(=O)C1C
InChIInChI=1S/C12H19NO4/c1-8-9(2)11(16)13(10(8)15)12(7-14)3-5-17-6-4-12/h8-9,14H,3-7H2,1-2H3
InChIKeyGNGSBVLPMFBAKZ-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.17
Rot. Bonds2

About 1-[4-(hydroxymethyl)oxan-4-yl]-3,4-dimethylpyrrolidine-2,5-dione

1-[4-(hydroxymethyl)oxan-4-yl]-3,4-dimethylpyrrolidine-2,5-dione (PubChem CID 106299559) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)oxan-4-yl]-3,4-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)oxan-4-yl]-3,4-dimethylpyrrolidine-2,5-dione
PubChem CID106299559
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name1-[4-(hydroxymethyl)oxan-4-yl]-3,4-dimethylpyrrolidine-2,5-dione
SMILESCC1C(=O)N(C2(CO)CCOCC2)C(=O)C1C
InChIInChI=1S/C12H19NO4/c1-8-9(2)11(16)13(10(8)15)12(7-14)3-5-17-6-4-12/h8-9,14H,3-7H2,1-2H3
InChIKeyGNGSBVLPMFBAKZ-UHFFFAOYSA-N
XLogP0.17
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(Hydroxymethyl)pentan-3-yl]-3-methylpyrrolidine-2,5-dione
CID 62521087
4-(3-Methyl-2,5-dioxopyrrolidin-1-yl)oxane-4-carboxylic acid
CID 78969486
4-(3,4-Dimethyl-2,5-dioxopyrrolidin-1-yl)oxane-4-carboxylic acid
CID 103499731
1-[3-(Hydroxymethyl)pentan-3-yl]-3,4-dimethylpyrrolidine-2,5-dione
CID 103500948
1-(1-Hydroxy-3-methylpentan-3-yl)-3,4-dimethylpyrrolidine-2,5-dione
CID 106172389
1-(1-Hydroxy-3-methylpentan-3-yl)-3-methylpyrrolidine-2,5-dione
CID 106172420
1-[4-(Hydroxymethyl)oxan-4-yl]-3-methylpyrrolidine-2,5-dione
CID 106299415
1-[4-(Hydroxymethyl)oxan-4-yl]pyrrolidine-2,5-dione
CID 106299498
3,3-Diethyl-1-[4-(hydroxymethyl)oxan-4-yl]pyrrolidine-2,5-dione
CID 106299511
1-[4-(Hydroxymethyl)oxan-4-yl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 106299513
1-[4-(Hydroxymethyl)oxan-4-yl]-3,3-dimethylpyrrolidine-2,5-dione
CID 114170328

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)oxan-4-yl]-3,4-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-[4-(hydroxymethyl)oxan-4-yl]-3,4-dimethylpyrrolidine-2,5-dione (CID 106299559) is 1-[4-(hydroxymethyl)oxan-4-yl]-3,4-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-(hydroxymethyl)oxan-4-yl]-3,4-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-(hydroxymethyl)oxan-4-yl]-3,4-dimethylpyrrolidine-2,5-dione is CC1C(=O)N(C2(CO)CCOCC2)C(=O)C1C.
What is the InChIKey of 1-[4-(hydroxymethyl)oxan-4-yl]-3,4-dimethylpyrrolidine-2,5-dione?
The InChIKey is GNGSBVLPMFBAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-8-9(2)11(16)13(10(8)15)12(7-14)3-5-17-6-4-12/h8-9,14H,3-7H2,1-2H3.
What are the key properties of 1-[4-(hydroxymethyl)oxan-4-yl]-3,4-dimethylpyrrolidine-2,5-dione?
1-[4-(hydroxymethyl)oxan-4-yl]-3,4-dimethylpyrrolidine-2,5-dione has a molecular weight of 241.29 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)oxan-4-yl]-3,4-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 106299559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).