methyl 2-(2,5-dioxopyrrolidin-1-yl)acetate

C7H9NO4 — CID 574306

IUPACmethyl 2-(2,5-dioxopyrrolidin-1-yl)acetate
SMILESCOC(=O)CN1C(=O)CCC1=O
InChIInChI=1S/C7H9NO4/c1-12-7(11)4-8-5(9)2-3-6(8)10/h2-4H2,1H3
InChIKeyLVOGNTQDHSWJQX-UHFFFAOYSA-N
MW171.15 g/mol
LogP-0.69
Rot. Bonds2

About methyl 2-(2,5-dioxopyrrolidin-1-yl)acetate

methyl 2-(2,5-dioxopyrrolidin-1-yl)acetate (PubChem CID 574306) has the molecular formula C7H9NO4 and a molecular weight of 171.15 g/mol. Its IUPAC name is methyl 2-(2,5-dioxopyrrolidin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2,5-dioxopyrrolidin-1-yl)acetate
PubChem CID574306
Molecular FormulaC7H9NO4
Molecular Weight171.15 g/mol
Exact Mass171.05
IUPAC Namemethyl 2-(2,5-dioxopyrrolidin-1-yl)acetate
SMILESCOC(=O)CN1C(=O)CCC1=O
InChIInChI=1S/C7H9NO4/c1-12-7(11)4-8-5(9)2-3-6(8)10/h2-4H2,1H3
InChIKeyLVOGNTQDHSWJQX-UHFFFAOYSA-N
XLogP-0.69
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
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': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,5-dioxopyrrolidin-1-yl)acetate?
The IUPAC name of methyl 2-(2,5-dioxopyrrolidin-1-yl)acetate (CID 574306) is methyl 2-(2,5-dioxopyrrolidin-1-yl)acetate.
What is the SMILES notation for methyl 2-(2,5-dioxopyrrolidin-1-yl)acetate?
The canonical SMILES for methyl 2-(2,5-dioxopyrrolidin-1-yl)acetate is COC(=O)CN1C(=O)CCC1=O.
What is the InChIKey of methyl 2-(2,5-dioxopyrrolidin-1-yl)acetate?
The InChIKey is LVOGNTQDHSWJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO4/c1-12-7(11)4-8-5(9)2-3-6(8)10/h2-4H2,1H3.
What are the key properties of methyl 2-(2,5-dioxopyrrolidin-1-yl)acetate?
methyl 2-(2,5-dioxopyrrolidin-1-yl)acetate has a molecular weight of 171.15 g/mol, XLogP of -0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,5-dioxopyrrolidin-1-yl)acetate is sourced from PubChem (CID 574306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).