(3-ethyl-2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate

C14H16N2O6 — CID 59649134

IUPAC(3-ethyl-2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate
SMILESCCC1CC(=O)N(OC(=O)CCCN2C(=O)C=CC2=O)C1=O
InChIInChI=1S/C14H16N2O6/c1-2-9-8-12(19)16(14(9)21)22-13(20)4-3-7-15-10(17)5-6-11(15)18/h5-6,9H,2-4,7-8H2,1H3
InChIKeyWDKPZOMVPHEFNL-UHFFFAOYSA-N
MW308.29 g/mol
LogP-0.07
Rot. Bonds6

About (3-ethyl-2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate

(3-ethyl-2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate (PubChem CID 59649134) has the molecular formula C14H16N2O6 and a molecular weight of 308.29 g/mol. Its IUPAC name is (3-ethyl-2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate.

Molecular Properties

Compound Name(3-ethyl-2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate
PubChem CID59649134
Molecular FormulaC14H16N2O6
Molecular Weight308.29 g/mol
Exact Mass308.10
IUPAC Name(3-ethyl-2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate
SMILESCCC1CC(=O)N(OC(=O)CCCN2C(=O)C=CC2=O)C1=O
InChIInChI=1S/C14H16N2O6/c1-2-9-8-12(19)16(14(9)21)22-13(20)4-3-7-15-10(17)5-6-11(15)18/h5-6,9H,2-4,7-8H2,1H3
InChIKeyWDKPZOMVPHEFNL-UHFFFAOYSA-N
XLogP-0.07
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate?
The IUPAC name of (3-ethyl-2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate (CID 59649134) is (3-ethyl-2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate.
What is the SMILES notation for (3-ethyl-2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate?
The canonical SMILES for (3-ethyl-2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate is CCC1CC(=O)N(OC(=O)CCCN2C(=O)C=CC2=O)C1=O.
What is the InChIKey of (3-ethyl-2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate?
The InChIKey is WDKPZOMVPHEFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O6/c1-2-9-8-12(19)16(14(9)21)22-13(20)4-3-7-15-10(17)5-6-11(15)18/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of (3-ethyl-2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate?
(3-ethyl-2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate has a molecular weight of 308.29 g/mol, XLogP of -0.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate is sourced from PubChem (CID 59649134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).