(2,5-dioxopyrrolidin-1-yl) 3-(3-methyl-2,5-dioxopyrrol-1-yl)propanoate

C12H12N2O6 — CID 71750418

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-(3-methyl-2,5-dioxopyrrol-1-yl)propanoate
SMILESCC1=CC(=O)N(CCC(=O)ON2C(=O)CCC2=O)C1=O
InChIInChI=1S/C12H12N2O6/c1-7-6-10(17)13(12(7)19)5-4-11(18)20-14-8(15)2-3-9(14)16/h6H,2-5H2,1H3
InChIKeyRCBFPXNMFGIQCW-UHFFFAOYSA-N
MW280.24 g/mol
LogP-0.70
Rot. Bonds4

About (2,5-dioxopyrrolidin-1-yl) 3-(3-methyl-2,5-dioxopyrrol-1-yl)propanoate

(2,5-dioxopyrrolidin-1-yl) 3-(3-methyl-2,5-dioxopyrrol-1-yl)propanoate (PubChem CID 71750418) has the molecular formula C12H12N2O6 and a molecular weight of 280.24 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-(3-methyl-2,5-dioxopyrrol-1-yl)propanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-(3-methyl-2,5-dioxopyrrol-1-yl)propanoate
PubChem CID71750418
Molecular FormulaC12H12N2O6
Molecular Weight280.24 g/mol
Exact Mass280.07
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-(3-methyl-2,5-dioxopyrrol-1-yl)propanoate
SMILESCC1=CC(=O)N(CCC(=O)ON2C(=O)CCC2=O)C1=O
InChIInChI=1S/C12H12N2O6/c1-7-6-10(17)13(12(7)19)5-4-11(18)20-14-8(15)2-3-9(14)16/h6H,2-5H2,1H3
InChIKeyRCBFPXNMFGIQCW-UHFFFAOYSA-N
XLogP-0.70
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.24
LogP ≤ 5-0.70
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 (2,5-dioxopyrrolidin-1-yl) 3-(3-methyl-2,5-dioxopyrrol-1-yl)propanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-(3-methyl-2,5-dioxopyrrol-1-yl)propanoate (CID 71750418) is (2,5-dioxopyrrolidin-1-yl) 3-(3-methyl-2,5-dioxopyrrol-1-yl)propanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-(3-methyl-2,5-dioxopyrrol-1-yl)propanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-(3-methyl-2,5-dioxopyrrol-1-yl)propanoate is CC1=CC(=O)N(CCC(=O)ON2C(=O)CCC2=O)C1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-(3-methyl-2,5-dioxopyrrol-1-yl)propanoate?
The InChIKey is RCBFPXNMFGIQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O6/c1-7-6-10(17)13(12(7)19)5-4-11(18)20-14-8(15)2-3-9(14)16/h6H,2-5H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-(3-methyl-2,5-dioxopyrrol-1-yl)propanoate?
(2,5-dioxopyrrolidin-1-yl) 3-(3-methyl-2,5-dioxopyrrol-1-yl)propanoate has a molecular weight of 280.24 g/mol, XLogP of -0.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 3-(3-methyl-2,5-dioxopyrrol-1-yl)propanoate is sourced from PubChem (CID 71750418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).