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

C7H9NO4 — CID 173415580

IUPAC1-(2,5-dioxopyrrolidin-1-yl)ethyl formate
SMILESCC(OC=O)N1C(=O)CCC1=O
InChIInChI=1S/C7H9NO4/c1-5(12-4-9)8-6(10)2-3-7(8)11/h4-5H,2-3H2,1H3
InChIKeyUAJOZAXCNQMROL-UHFFFAOYSA-N
MW171.15 g/mol
LogP-0.35
Rot. Bonds3

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

1-(2,5-dioxopyrrolidin-1-yl)ethyl formate (PubChem CID 173415580) has the molecular formula C7H9NO4 and a molecular weight of 171.15 g/mol. Its IUPAC name is 1-(2,5-dioxopyrrolidin-1-yl)ethyl formate.

Molecular Properties

Compound Name1-(2,5-dioxopyrrolidin-1-yl)ethyl formate
PubChem CID173415580
Molecular FormulaC7H9NO4
Molecular Weight171.15 g/mol
Exact Mass171.05
IUPAC Name1-(2,5-dioxopyrrolidin-1-yl)ethyl formate
SMILESCC(OC=O)N1C(=O)CCC1=O
InChIInChI=1S/C7H9NO4/c1-5(12-4-9)8-6(10)2-3-7(8)11/h4-5H,2-3H2,1H3
InChIKeyUAJOZAXCNQMROL-UHFFFAOYSA-N
XLogP-0.35
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dioxopyrrolidin-1-yl)ethyl formate?
The IUPAC name of 1-(2,5-dioxopyrrolidin-1-yl)ethyl formate (CID 173415580) is 1-(2,5-dioxopyrrolidin-1-yl)ethyl formate.
What is the SMILES notation for 1-(2,5-dioxopyrrolidin-1-yl)ethyl formate?
The canonical SMILES for 1-(2,5-dioxopyrrolidin-1-yl)ethyl formate is CC(OC=O)N1C(=O)CCC1=O.
What is the InChIKey of 1-(2,5-dioxopyrrolidin-1-yl)ethyl formate?
The InChIKey is UAJOZAXCNQMROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO4/c1-5(12-4-9)8-6(10)2-3-7(8)11/h4-5H,2-3H2,1H3.
What are the key properties of 1-(2,5-dioxopyrrolidin-1-yl)ethyl formate?
1-(2,5-dioxopyrrolidin-1-yl)ethyl formate has a molecular weight of 171.15 g/mol, XLogP of -0.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dioxopyrrolidin-1-yl)ethyl formate is sourced from PubChem (CID 173415580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).