1-(4-oxo-4-pyrrolidin-1-ylbutyl)pyrrole-2,5-dione

C12H16N2O3 — CID 121327382

IUPAC1-(4-oxo-4-pyrrolidin-1-ylbutyl)pyrrole-2,5-dione
SMILESO=C(CCCN1C(=O)C=CC1=O)N1CCCC1
InChIInChI=1S/C12H16N2O3/c15-10(13-7-1-2-8-13)4-3-9-14-11(16)5-6-12(14)17/h5-6H,1-4,7-9H2
InChIKeyRWWFUMWXCBXBOQ-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.31
Rot. Bonds4

About 1-(4-oxo-4-pyrrolidin-1-ylbutyl)pyrrole-2,5-dione

1-(4-oxo-4-pyrrolidin-1-ylbutyl)pyrrole-2,5-dione (PubChem CID 121327382) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-(4-oxo-4-pyrrolidin-1-ylbutyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-oxo-4-pyrrolidin-1-ylbutyl)pyrrole-2,5-dione
PubChem CID121327382
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name1-(4-oxo-4-pyrrolidin-1-ylbutyl)pyrrole-2,5-dione
SMILESO=C(CCCN1C(=O)C=CC1=O)N1CCCC1
InChIInChI=1S/C12H16N2O3/c15-10(13-7-1-2-8-13)4-3-9-14-11(16)5-6-12(14)17/h5-6H,1-4,7-9H2
InChIKeyRWWFUMWXCBXBOQ-UHFFFAOYSA-N
XLogP0.31
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-oxo-4-pyrrolidin-1-ylbutyl)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

1,4-Bis(maleimido)butane
CID 239576
2-Pyrrolidinone, 1-(1-oxo-2-propenyl)-
CID 543203
Pyrrolidin-2-one, N-crotonoyl-
CID 5365844
(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
1-[(E)-4-fluorobut-2-enoyl]pyrrolidin-2-one
CID 135084072
Maleimidoethylacetamide
CID 17867096
N-(gamma-maleimidobutyryl)succinimide
CID 17961676
1-(2-Pyrrolidin-1-ylethyl)pyrrole-2,5-dione
CID 60977427
N,N-dimethylprop-2-enamide;1-ethenylpyrrolidin-2-one
CID 69328668
N-(beta-maleimidopropionyl)succinimide
CID 129758333
1-[(2E,4E)-hexa-2,4-dienoyl]pyrrolidin-2-one
CID 13011424

Frequently Asked Questions

What is the IUPAC name of 1-(4-oxo-4-pyrrolidin-1-ylbutyl)pyrrole-2,5-dione?
The IUPAC name of 1-(4-oxo-4-pyrrolidin-1-ylbutyl)pyrrole-2,5-dione (CID 121327382) is 1-(4-oxo-4-pyrrolidin-1-ylbutyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(4-oxo-4-pyrrolidin-1-ylbutyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(4-oxo-4-pyrrolidin-1-ylbutyl)pyrrole-2,5-dione is O=C(CCCN1C(=O)C=CC1=O)N1CCCC1.
What is the InChIKey of 1-(4-oxo-4-pyrrolidin-1-ylbutyl)pyrrole-2,5-dione?
The InChIKey is RWWFUMWXCBXBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-10(13-7-1-2-8-13)4-3-9-14-11(16)5-6-12(14)17/h5-6H,1-4,7-9H2.
What are the key properties of 1-(4-oxo-4-pyrrolidin-1-ylbutyl)pyrrole-2,5-dione?
1-(4-oxo-4-pyrrolidin-1-ylbutyl)pyrrole-2,5-dione has a molecular weight of 236.27 g/mol, XLogP of 0.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-oxo-4-pyrrolidin-1-ylbutyl)pyrrole-2,5-dione is sourced from PubChem (CID 121327382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).