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

C10H15NO4 — CID 106299498

IUPAC1-[4-(hydroxymethyl)oxan-4-yl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1C1(CO)CCOCC1
InChIInChI=1S/C10H15NO4/c12-7-10(3-5-15-6-4-10)11-8(13)1-2-9(11)14/h12H,1-7H2
InChIKeyGEMGKQDCWBJDQE-UHFFFAOYSA-N
MW213.23 g/mol
LogP-0.32
Rot. Bonds2

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

1-[4-(hydroxymethyl)oxan-4-yl]pyrrolidine-2,5-dione (PubChem CID 106299498) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)oxan-4-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)oxan-4-yl]pyrrolidine-2,5-dione
PubChem CID106299498
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name1-[4-(hydroxymethyl)oxan-4-yl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1C1(CO)CCOCC1
InChIInChI=1S/C10H15NO4/c12-7-10(3-5-15-6-4-10)11-8(13)1-2-9(11)14/h12H,1-7H2
InChIKeyGEMGKQDCWBJDQE-UHFFFAOYSA-N
XLogP-0.32
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[4-(hydroxymethyl)oxan-4-yl]pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)oxan-4-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[4-(hydroxymethyl)oxan-4-yl]pyrrolidine-2,5-dione (CID 106299498) is 1-[4-(hydroxymethyl)oxan-4-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-(hydroxymethyl)oxan-4-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-(hydroxymethyl)oxan-4-yl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1C1(CO)CCOCC1.
What is the InChIKey of 1-[4-(hydroxymethyl)oxan-4-yl]pyrrolidine-2,5-dione?
The InChIKey is GEMGKQDCWBJDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c12-7-10(3-5-15-6-4-10)11-8(13)1-2-9(11)14/h12H,1-7H2.
What are the key properties of 1-[4-(hydroxymethyl)oxan-4-yl]pyrrolidine-2,5-dione?
1-[4-(hydroxymethyl)oxan-4-yl]pyrrolidine-2,5-dione has a molecular weight of 213.23 g/mol, XLogP of -0.32, 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]pyrrolidine-2,5-dione is sourced from PubChem (CID 106299498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).