1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]piperidine-2,6-dione

C11H17NO4 — CID 106103133

IUPAC1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]piperidine-2,6-dione
SMILESCC1OCCC1(O)CN1C(=O)CCCC1=O
InChIInChI=1S/C11H17NO4/c1-8-11(15,5-6-16-8)7-12-9(13)3-2-4-10(12)14/h8,15H,2-7H2,1H3
InChIKeyYOMGGQVLWZODIH-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.07
Rot. Bonds2

About 1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]piperidine-2,6-dione

1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]piperidine-2,6-dione (PubChem CID 106103133) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]piperidine-2,6-dione
PubChem CID106103133
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]piperidine-2,6-dione
SMILESCC1OCCC1(O)CN1C(=O)CCCC1=O
InChIInChI=1S/C11H17NO4/c1-8-11(15,5-6-16-8)7-12-9(13)3-2-4-10(12)14/h8,15H,2-7H2,1H3
InChIKeyYOMGGQVLWZODIH-UHFFFAOYSA-N
XLogP0.07
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]piperidine-2,6-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-[(3-hydroxy-2-methyloxolan-3-yl)methyl]piperidine-2,6-dione?
The IUPAC name of 1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]piperidine-2,6-dione (CID 106103133) is 1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]piperidine-2,6-dione?
The canonical SMILES for 1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]piperidine-2,6-dione is CC1OCCC1(O)CN1C(=O)CCCC1=O.
What is the InChIKey of 1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]piperidine-2,6-dione?
The InChIKey is YOMGGQVLWZODIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-8-11(15,5-6-16-8)7-12-9(13)3-2-4-10(12)14/h8,15H,2-7H2,1H3.
What are the key properties of 1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]piperidine-2,6-dione?
1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]piperidine-2,6-dione has a molecular weight of 227.26 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]piperidine-2,6-dione is sourced from PubChem (CID 106103133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).