(2,5-dioxopyrrolidin-1-yl) 4-cyclopenta-1,4-dien-1-ylbutanoate

C13H15NO4 — CID 154973989

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-cyclopenta-1,4-dien-1-ylbutanoate
SMILESO=C(CCCC1=CCC=C1)ON1C(=O)CCC1=O
InChIInChI=1S/C13H15NO4/c15-11-8-9-12(16)14(11)18-13(17)7-3-6-10-4-1-2-5-10/h1,4-5H,2-3,6-9H2
InChIKeyRUXWBXSPJXDTMA-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.65
Rot. Bonds5

About (2,5-dioxopyrrolidin-1-yl) 4-cyclopenta-1,4-dien-1-ylbutanoate

(2,5-dioxopyrrolidin-1-yl) 4-cyclopenta-1,4-dien-1-ylbutanoate (PubChem CID 154973989) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-cyclopenta-1,4-dien-1-ylbutanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-cyclopenta-1,4-dien-1-ylbutanoate
PubChem CID154973989
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-cyclopenta-1,4-dien-1-ylbutanoate
SMILESO=C(CCCC1=CCC=C1)ON1C(=O)CCC1=O
InChIInChI=1S/C13H15NO4/c15-11-8-9-12(16)14(11)18-13(17)7-3-6-10-4-1-2-5-10/h1,4-5H,2-3,6-9H2
InChIKeyRUXWBXSPJXDTMA-UHFFFAOYSA-N
XLogP1.65
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 4-phosphanylbutanoate
CID 88947162
(2,5-dioxopyrrolidin-1-yl) 4-iodobutanoate
CID 86194285
23-(2,5-dioxopyrrolidin-1-yl)oxy-23-oxotricosanoic acid
CID 155487576
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
(2,5-dioxopyrrolidin-1-yl) 5-aminopentanoate
CID 129055925
(2,5-dioxopyrrolidin-1-yl) 9-amino-9-oxononanoate
CID 142436920
(2,5-dioxopyrrolidin-1-yl) 11-bromoundecanoate
CID 131750156
(2,5-dioxopyrrolidin-1-yl) 4-(dimethylamino)butanoate;ethane
CID 178100536
5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-[2-[2-[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoyl]oxyethoxy]ethoxy]ethyl] pentanedioate
CID 162161895
(2,5-dioxopyrrolidin-1-yl) 3-(cyclooctatetraenyl)propanoate
CID 160570698
(2,5-dioxopyrrolidin-1-yl) 8-oxononanoate
CID 88976208
(2,5-dioxopyrrolidin-1-yl) 6-oxoheptanoate;ethane
CID 156842096

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-cyclopenta-1,4-dien-1-ylbutanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-cyclopenta-1,4-dien-1-ylbutanoate (CID 154973989) is (2,5-dioxopyrrolidin-1-yl) 4-cyclopenta-1,4-dien-1-ylbutanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-cyclopenta-1,4-dien-1-ylbutanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-cyclopenta-1,4-dien-1-ylbutanoate is O=C(CCCC1=CCC=C1)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-cyclopenta-1,4-dien-1-ylbutanoate?
The InChIKey is RUXWBXSPJXDTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c15-11-8-9-12(16)14(11)18-13(17)7-3-6-10-4-1-2-5-10/h1,4-5H,2-3,6-9H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-cyclopenta-1,4-dien-1-ylbutanoate?
(2,5-dioxopyrrolidin-1-yl) 4-cyclopenta-1,4-dien-1-ylbutanoate has a molecular weight of 249.27 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 4-cyclopenta-1,4-dien-1-ylbutanoate is sourced from PubChem (CID 154973989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).