2-(2,5-dioxopyrrolidin-1-yl)ethyl butanoate

C10H15NO4 — CID 167250254

IUPAC2-(2,5-dioxopyrrolidin-1-yl)ethyl butanoate
SMILESCCCC(=O)OCCN1C(=O)CCC1=O
InChIInChI=1S/C10H15NO4/c1-2-3-10(14)15-7-6-11-8(12)4-5-9(11)13/h2-7H2,1H3
InChIKeyCTNZSBLOMCRERV-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.48
Rot. Bonds5

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

2-(2,5-dioxopyrrolidin-1-yl)ethyl butanoate (PubChem CID 167250254) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)ethyl butanoate.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)ethyl butanoate
PubChem CID167250254
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)ethyl butanoate
SMILESCCCC(=O)OCCN1C(=O)CCC1=O
InChIInChI=1S/C10H15NO4/c1-2-3-10(14)15-7-6-11-8(12)4-5-9(11)13/h2-7H2,1H3
InChIKeyCTNZSBLOMCRERV-UHFFFAOYSA-N
XLogP0.48
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)ethyl butanoate?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)ethyl butanoate (CID 167250254) is 2-(2,5-dioxopyrrolidin-1-yl)ethyl butanoate.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)ethyl butanoate?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)ethyl butanoate is CCCC(=O)OCCN1C(=O)CCC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)ethyl butanoate?
The InChIKey is CTNZSBLOMCRERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-2-3-10(14)15-7-6-11-8(12)4-5-9(11)13/h2-7H2,1H3.
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)ethyl butanoate?
2-(2,5-dioxopyrrolidin-1-yl)ethyl butanoate has a molecular weight of 213.23 g/mol, XLogP of 0.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)ethyl butanoate is sourced from PubChem (CID 167250254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).