1-[3-(2,5-dioxopyrrolidin-1-yl)oxypropyl]pyrrole-2,5-dione

C11H12N2O5 — CID 149152181

IUPAC1-[3-(2,5-dioxopyrrolidin-1-yl)oxypropyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCON1C(=O)CCC1=O
InChIInChI=1S/C11H12N2O5/c14-8-2-3-9(15)12(8)6-1-7-18-13-10(16)4-5-11(13)17/h2-3H,1,4-7H2
InChIKeyJNQHWIRNLLFBPR-UHFFFAOYSA-N
MW252.23 g/mol
LogP-0.62
Rot. Bonds5

About 1-[3-(2,5-dioxopyrrolidin-1-yl)oxypropyl]pyrrole-2,5-dione

1-[3-(2,5-dioxopyrrolidin-1-yl)oxypropyl]pyrrole-2,5-dione (PubChem CID 149152181) has the molecular formula C11H12N2O5 and a molecular weight of 252.23 g/mol. Its IUPAC name is 1-[3-(2,5-dioxopyrrolidin-1-yl)oxypropyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[3-(2,5-dioxopyrrolidin-1-yl)oxypropyl]pyrrole-2,5-dione
PubChem CID149152181
Molecular FormulaC11H12N2O5
Molecular Weight252.23 g/mol
Exact Mass252.07
IUPAC Name1-[3-(2,5-dioxopyrrolidin-1-yl)oxypropyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCON1C(=O)CCC1=O
InChIInChI=1S/C11H12N2O5/c14-8-2-3-9(15)12(8)6-1-7-18-13-10(16)4-5-11(13)17/h2-3H,1,4-7H2
InChIKeyJNQHWIRNLLFBPR-UHFFFAOYSA-N
XLogP-0.62
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 5-0.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[3-(2,5-dioxopyrrolidin-1-yl)oxypropyl]pyrrole-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

2,5-dioxopyrrolidin-1-yl 3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanoate
CID 4620597
N-(gamma-Maleimidobutyryloxy)succinimide
CID 133440
1-[2-(2,5-Dioxopyrrolidin-1-yl)ethyl]pyrrole-2,5-dione
CID 162745275
N-(gamma-maleimidobutyryl)succinimide
CID 17961676
N-(beta-maleimidopropyloxy)succinimide
CID 21868961
N-(beta-maleimidopropionyl)succinimide
CID 129758333
1-[4-(2,5-Dioxopyrrolidin-1-yl)oxybutyl]pyrrole-2,5-dione
CID 21660856
1-[4-(2,5-Dioxopyrrolidin-1-yl)oxybutan-2-yl]pyrrole-2,5-dione
CID 22055203
(1-Hydroxy-2,5-dioxopyrrolidin-1-ium-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate
CID 23506201
1-[2-(2,5-Dioxo-3-tritiopyrrolidin-1-yl)peroxyethyl]pyrrole-2,5-dione
CID 57587878
(2,5-Dioxopyrrolidin-1-yl) (2,5-dioxopyrrol-1-yl)methyl carbonate
CID 59459663
1-[6-(2,5-Dioxopyrrolidin-1-yl)oxyhexyl]pyrrole-2,5-dione
CID 66738103

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,5-dioxopyrrolidin-1-yl)oxypropyl]pyrrole-2,5-dione?
The IUPAC name of 1-[3-(2,5-dioxopyrrolidin-1-yl)oxypropyl]pyrrole-2,5-dione (CID 149152181) is 1-[3-(2,5-dioxopyrrolidin-1-yl)oxypropyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[3-(2,5-dioxopyrrolidin-1-yl)oxypropyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[3-(2,5-dioxopyrrolidin-1-yl)oxypropyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1CCCON1C(=O)CCC1=O.
What is the InChIKey of 1-[3-(2,5-dioxopyrrolidin-1-yl)oxypropyl]pyrrole-2,5-dione?
The InChIKey is JNQHWIRNLLFBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O5/c14-8-2-3-9(15)12(8)6-1-7-18-13-10(16)4-5-11(13)17/h2-3H,1,4-7H2.
What are the key properties of 1-[3-(2,5-dioxopyrrolidin-1-yl)oxypropyl]pyrrole-2,5-dione?
1-[3-(2,5-dioxopyrrolidin-1-yl)oxypropyl]pyrrole-2,5-dione has a molecular weight of 252.23 g/mol, XLogP of -0.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,5-dioxopyrrolidin-1-yl)oxypropyl]pyrrole-2,5-dione is sourced from PubChem (CID 149152181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).