3-[1-(2-methylpropoxy)ethyl]pyrrolidine-2,5-dione

C10H17NO3 — CID 67153157

IUPAC3-[1-(2-methylpropoxy)ethyl]pyrrolidine-2,5-dione
SMILESCC(C)COC(C)C1CC(=O)NC1=O
InChIInChI=1S/C10H17NO3/c1-6(2)5-14-7(3)8-4-9(12)11-10(8)13/h6-8H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyTTXXSHDDVSJJAO-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.71
Rot. Bonds4

About 3-[1-(2-methylpropoxy)ethyl]pyrrolidine-2,5-dione

3-[1-(2-methylpropoxy)ethyl]pyrrolidine-2,5-dione (PubChem CID 67153157) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-[1-(2-methylpropoxy)ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[1-(2-methylpropoxy)ethyl]pyrrolidine-2,5-dione
PubChem CID67153157
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name3-[1-(2-methylpropoxy)ethyl]pyrrolidine-2,5-dione
SMILESCC(C)COC(C)C1CC(=O)NC1=O
InChIInChI=1S/C10H17NO3/c1-6(2)5-14-7(3)8-4-9(12)11-10(8)13/h6-8H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyTTXXSHDDVSJJAO-UHFFFAOYSA-N
XLogP0.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[1-(2-methylpropoxy)ethyl]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

Related Compounds

1-(2,5-dioxopyrrolidin-3-yl)ethyl 2-methylprop-2-enoate
CID 141166852
3-[2-(2-methylpropoxy)ethyl]piperidine-2,6-dione
CID 106458139
dimethyl 2-[(3R)-2,5-dioxopyrrolidin-3-yl]propanedioate
CID 125471699
(3R)-3-[[4-(2-methylpropoxy)phenyl]methyl]piperidine-2,6-dione
CID 7034523
(3R)-3-[[4-(2-methylpropoxy)phenyl]methyl]pyrrolidine-2,5-dione
CID 98277402
3-[1-(4-chlorophenyl)ethyl]pyrrolidine-2,5-dione
CID 67749051
3-heptadecan-3-ylpyrrolidine-2,5-dione
CID 69050802
4-cyclopropyl-3-(2-methylpropyl)piperidine-2,6-dione
CID 79318356
4-methoxy-3-propan-2-ylpiperidine-2,6-dione
CID 167008611
3-[2-(2,5-dioxopyrrolidin-3-yl)ethyl]pyrrolidine-2,5-dione
CID 154234423
(2R)-2-[(1R)-1-(2-methylpropoxy)ethyl]oxirane
CID 129452601
3-(2-methylpropanoyl)pyrrolidine-2,5-dione
CID 68572615

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methylpropoxy)ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-[1-(2-methylpropoxy)ethyl]pyrrolidine-2,5-dione (CID 67153157) is 3-[1-(2-methylpropoxy)ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[1-(2-methylpropoxy)ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[1-(2-methylpropoxy)ethyl]pyrrolidine-2,5-dione is CC(C)COC(C)C1CC(=O)NC1=O.
What is the InChIKey of 3-[1-(2-methylpropoxy)ethyl]pyrrolidine-2,5-dione?
The InChIKey is TTXXSHDDVSJJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-6(2)5-14-7(3)8-4-9(12)11-10(8)13/h6-8H,4-5H2,1-3H3,(H,11,12,13).
What are the key properties of 3-[1-(2-methylpropoxy)ethyl]pyrrolidine-2,5-dione?
3-[1-(2-methylpropoxy)ethyl]pyrrolidine-2,5-dione has a molecular weight of 199.25 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methylpropoxy)ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 67153157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).