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

C7H9NO4 — CID 88688678

IUPAC2-(2,5-dioxopyrrolidin-1-yl)ethyl formate
SMILESO=COCCN1C(=O)CCC1=O
InChIInChI=1S/C7H9NO4/c9-5-12-4-3-8-6(10)1-2-7(8)11/h5H,1-4H2
InChIKeyFKVGRZJVTIBGEI-UHFFFAOYSA-N
MW171.15 g/mol
LogP-0.69
Rot. Bonds4

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

2-(2,5-dioxopyrrolidin-1-yl)ethyl formate (PubChem CID 88688678) has the molecular formula C7H9NO4 and a molecular weight of 171.15 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)ethyl formate.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)ethyl formate
PubChem CID88688678
Molecular FormulaC7H9NO4
Molecular Weight171.15 g/mol
Exact Mass171.05
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)ethyl formate
SMILESO=COCCN1C(=O)CCC1=O
InChIInChI=1S/C7H9NO4/c9-5-12-4-3-8-6(10)1-2-7(8)11/h5H,1-4H2
InChIKeyFKVGRZJVTIBGEI-UHFFFAOYSA-N
XLogP-0.69
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 5-0.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-(2,5-dioxopyrrolidin-1-yl)acetate
CID 280750
2-(2,5-Dioxopyrrolidin-1-yl)ethyl acetate
CID 14167935
Acetic acid, succinimido-, methyl ester
CID 574306
4-Oxo-4-(2-oxo-oxazolidin-3-yl)-butyraldehyde
CID 10607265
2-Oxazolidinone, 3-(1-oxobutyl)-
CID 11240626
2,5-Pyrrolidinedione, 1-(2-methoxyethyl)-
CID 12201128
(2,5-Dioxopyrrolidin-1-yl)methyl formate
CID 20402561
1-(2,2-Dimethoxyethyl)pyrrolidine-2,5-dione
CID 21203968
(2-Oxopyrrolidin-1-yl)methyl formate
CID 21221161
1-(2-Oxopyrrolidin-1-yl)ethyl formate
CID 54526929
2-(2-Oxopyrrolidin-1-yl)ethyl formate
CID 57039874
CID 58450354
CID 58450354

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)ethyl formate?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)ethyl formate (CID 88688678) is 2-(2,5-dioxopyrrolidin-1-yl)ethyl formate.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)ethyl formate?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)ethyl formate is O=COCCN1C(=O)CCC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)ethyl formate?
The InChIKey is FKVGRZJVTIBGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO4/c9-5-12-4-3-8-6(10)1-2-7(8)11/h5H,1-4H2.
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)ethyl formate?
2-(2,5-dioxopyrrolidin-1-yl)ethyl formate has a molecular weight of 171.15 g/mol, XLogP of -0.69, 4 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 formate is sourced from PubChem (CID 88688678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).