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

C9H13NO3 — CID 122459356

IUPAC1-[2-(3-methyloxiran-2-yl)ethyl]pyrrolidine-2,5-dione
SMILESCC1OC1CCN1C(=O)CCC1=O
InChIInChI=1S/C9H13NO3/c1-6-7(13-6)4-5-10-8(11)2-3-9(10)12/h6-7H,2-5H2,1H3
InChIKeyCWZWLDUPVAHDLM-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.31
Rot. Bonds3

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

1-[2-(3-methyloxiran-2-yl)ethyl]pyrrolidine-2,5-dione (PubChem CID 122459356) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-[2-(3-methyloxiran-2-yl)ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(3-methyloxiran-2-yl)ethyl]pyrrolidine-2,5-dione
PubChem CID122459356
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name1-[2-(3-methyloxiran-2-yl)ethyl]pyrrolidine-2,5-dione
SMILESCC1OC1CCN1C(=O)CCC1=O
InChIInChI=1S/C9H13NO3/c1-6-7(13-6)4-5-10-8(11)2-3-9(10)12/h6-7H,2-5H2,1H3
InChIKeyCWZWLDUPVAHDLM-UHFFFAOYSA-N
XLogP0.31
TPSA49.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-(3-methyloxiran-2-yl)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-(Oxiran-2-yl)ethyl]pyrrolidin-2-one
CID 352742
1-[2-(Oxiran-2-yl)ethyl]pyrrolidine-2,5-dione
CID 13408910
1-[3-(Oxiran-2-yl)propyl]pyrrolidine-2,5-dione
CID 87181111
3-Methanidyl-1-(4-methoxypentyl)pyrrolidine-2,5-dione
CID 91092473
1-[(3-Methyloxiran-2-yl)methyl]pyrrolidine-2,5-dione
CID 122459290
1-[2-(3-Methyloxiran-2-yl)propyl]pyrrolidine-2,5-dione
CID 122459334
1-[2-(2,3-Dimethyloxiran-2-yl)ethyl]pyrrolidine-2,5-dione
CID 122459339
1-[2-(3,3-Diethyloxiran-2-yl)ethyl]pyrrolidine-2,5-dione
CID 122459343
1-[1-(3-Methyloxiran-2-yl)ethyl]pyrrolidine-2,5-dione
CID 122459353
1-[2-(Oxiran-2-yl)butyl]pyrrolidine-2,5-dione
CID 122459361
1-[2-(3,3-Dimethyloxiran-2-yl)propyl]pyrrolidine-2,5-dione
CID 122459362
1-[2-(2-Ethyloxiran-2-yl)ethyl]pyrrolidine-2,5-dione
CID 122459366

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methyloxiran-2-yl)ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(3-methyloxiran-2-yl)ethyl]pyrrolidine-2,5-dione (CID 122459356) is 1-[2-(3-methyloxiran-2-yl)ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(3-methyloxiran-2-yl)ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(3-methyloxiran-2-yl)ethyl]pyrrolidine-2,5-dione is CC1OC1CCN1C(=O)CCC1=O.
What is the InChIKey of 1-[2-(3-methyloxiran-2-yl)ethyl]pyrrolidine-2,5-dione?
The InChIKey is CWZWLDUPVAHDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-6-7(13-6)4-5-10-8(11)2-3-9(10)12/h6-7H,2-5H2,1H3.
What are the key properties of 1-[2-(3-methyloxiran-2-yl)ethyl]pyrrolidine-2,5-dione?
1-[2-(3-methyloxiran-2-yl)ethyl]pyrrolidine-2,5-dione has a molecular weight of 183.21 g/mol, XLogP of 0.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methyloxiran-2-yl)ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 122459356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).