3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-methylpyrrolidine-2,5-dione

C11H18N2O3 — CID 107358265

IUPAC3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-methylpyrrolidine-2,5-dione
SMILESCC(O)C1CCN(C2CC(=O)N(C)C2=O)C1
InChIInChI=1S/C11H18N2O3/c1-7(14)8-3-4-13(6-8)9-5-10(15)12(2)11(9)16/h7-9,14H,3-6H2,1-2H3
InChIKeyVYYWBONQXSZUFN-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.55
Rot. Bonds2

About 3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-methylpyrrolidine-2,5-dione

3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-methylpyrrolidine-2,5-dione (PubChem CID 107358265) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-methylpyrrolidine-2,5-dione
PubChem CID107358265
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-methylpyrrolidine-2,5-dione
SMILESCC(O)C1CCN(C2CC(=O)N(C)C2=O)C1
InChIInChI=1S/C11H18N2O3/c1-7(14)8-3-4-13(6-8)9-5-10(15)12(2)11(9)16/h7-9,14H,3-6H2,1-2H3
InChIKeyVYYWBONQXSZUFN-UHFFFAOYSA-N
XLogP-0.55
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-methylpyrrolidine-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

Related Compounds

3-(3-hydroxypyrrolidin-1-yl)-1-methylpyrrolidine-2,5-dione
CID 107358243
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]cyclopentan-1-one
CID 112626469
3-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-methylpyrrolidine-2,5-dione
CID 107358260
3-(3,4-dihydroxypyrrolidin-1-yl)-1-methylpyrrolidine-2,5-dione
CID 107358283
3-[(3R)-3-aminopiperidin-1-yl]-1-methylpyrrolidine-2,5-dione
CID 107358170
3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-phenylpyrrolidin-2-one
CID 110020226
3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 110020239
3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]cyclohexan-1-one
CID 112626556
1-(4-chlorophenyl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyrrolidin-2-one
CID 110020445
2-[1-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperidin-3-yl]acetic acid
CID 62688735
1-(3-fluorophenyl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]piperidin-2-one
CID 110020111
1-(4-chloro-3-fluorophenyl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyrrolidin-2-one
CID 110020322

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-methylpyrrolidine-2,5-dione (CID 107358265) is 3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-methylpyrrolidine-2,5-dione is CC(O)C1CCN(C2CC(=O)N(C)C2=O)C1.
What is the InChIKey of 3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-methylpyrrolidine-2,5-dione?
The InChIKey is VYYWBONQXSZUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-7(14)8-3-4-13(6-8)9-5-10(15)12(2)11(9)16/h7-9,14H,3-6H2,1-2H3.
What are the key properties of 3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-methylpyrrolidine-2,5-dione?
3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-methylpyrrolidine-2,5-dione has a molecular weight of 226.28 g/mol, XLogP of -0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 107358265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).