1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrole-2,5-dione

C11H14N2O3 — CID 115586376

IUPAC1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrole-2,5-dione
SMILESO=C(CCN1C(=O)C=CC1=O)N1CCCC1
InChIInChI=1S/C11H14N2O3/c14-9(12-6-1-2-7-12)5-8-13-10(15)3-4-11(13)16/h3-4H,1-2,5-8H2
InChIKeyMUCWXJBAVCCWGK-UHFFFAOYSA-N
MW222.24 g/mol
LogP-0.08
Rot. Bonds3

About 1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrole-2,5-dione

1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrole-2,5-dione (PubChem CID 115586376) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrole-2,5-dione
PubChem CID115586376
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrole-2,5-dione
SMILESO=C(CCN1C(=O)C=CC1=O)N1CCCC1
InChIInChI=1S/C11H14N2O3/c14-9(12-6-1-2-7-12)5-8-13-10(15)3-4-11(13)16/h3-4H,1-2,5-8H2
InChIKeyMUCWXJBAVCCWGK-UHFFFAOYSA-N
XLogP-0.08
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,4-Bis(maleimido)butane
CID 239576
Trimethylenebismaleimide
CID 239575
1-(3-Dimethylaminopropyl)-1H-pyrrole-2,5-dione
CID 151256
(E)-1,4-dipyrrolidin-1-ylbut-2-ene-1,4-dione
CID 5469016
1-[2-(2,5-Dioxopyrrolidin-1-yl)ethyl]pyrrole-2,5-dione
CID 162745275
N-(gamma-maleimidobutyryl)succinimide
CID 17961676
1-(2-Pyrrolidin-1-ylethyl)pyrrole-2,5-dione
CID 60977427
N-(beta-maleimidopropionyl)succinimide
CID 129758333
3-Methyl-1-(3-pyrrolidin-1-ylpropyl)pyrrole-2,5-dione
CID 60976838
3-(2,5-dioxopyrrol-1-yl)-N,N-dimethylpropanamide
CID 60977311
3-(2,5-dioxopyrrol-1-yl)-N-ethyl-N-methylpropanamide
CID 68253463
1-[3-[Bis(3-oxobutyl)amino]propyl]pyrrole-2,5-dione
CID 118673928

Frequently Asked Questions

What is the IUPAC name of 1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrole-2,5-dione?
The IUPAC name of 1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrole-2,5-dione (CID 115586376) is 1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrole-2,5-dione is O=C(CCN1C(=O)C=CC1=O)N1CCCC1.
What is the InChIKey of 1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrole-2,5-dione?
The InChIKey is MUCWXJBAVCCWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c14-9(12-6-1-2-7-12)5-8-13-10(15)3-4-11(13)16/h3-4H,1-2,5-8H2.
What are the key properties of 1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrole-2,5-dione?
1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrole-2,5-dione has a molecular weight of 222.24 g/mol, XLogP of -0.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrole-2,5-dione is sourced from PubChem (CID 115586376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).