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

C11H8N2O6 — CID 24976080

IUPAC(2,5-dioxopyrrol-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate
SMILESO=C(CCN1C(=O)C=CC1=O)ON1C(=O)C=CC1=O
InChIInChI=1S/C11H8N2O6/c14-7-1-2-8(15)12(7)6-5-11(18)19-13-9(16)3-4-10(13)17/h1-4H,5-6H2
InChIKeyFDGFZBNFVGLEBE-UHFFFAOYSA-N
MW264.19 g/mol
LogP-1.32
Rot. Bonds4

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

(2,5-dioxopyrrol-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate (PubChem CID 24976080) has the molecular formula C11H8N2O6 and a molecular weight of 264.19 g/mol. Its IUPAC name is (2,5-dioxopyrrol-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrol-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate
PubChem CID24976080
Molecular FormulaC11H8N2O6
Molecular Weight264.19 g/mol
Exact Mass264.04
IUPAC Name(2,5-dioxopyrrol-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate
SMILESO=C(CCN1C(=O)C=CC1=O)ON1C(=O)C=CC1=O
InChIInChI=1S/C11H8N2O6/c14-7-1-2-8(15)12(7)6-5-11(18)19-13-9(16)3-4-10(13)17/h1-4H,5-6H2
InChIKeyFDGFZBNFVGLEBE-UHFFFAOYSA-N
XLogP-1.32
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.19
LogP ≤ 5-1.32
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-dioxopyrrol-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate?
The IUPAC name of (2,5-dioxopyrrol-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate (CID 24976080) is (2,5-dioxopyrrol-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate.
What is the SMILES notation for (2,5-dioxopyrrol-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate?
The canonical SMILES for (2,5-dioxopyrrol-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate is O=C(CCN1C(=O)C=CC1=O)ON1C(=O)C=CC1=O.
What is the InChIKey of (2,5-dioxopyrrol-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate?
The InChIKey is FDGFZBNFVGLEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O6/c14-7-1-2-8(15)12(7)6-5-11(18)19-13-9(16)3-4-10(13)17/h1-4H,5-6H2.
What are the key properties of (2,5-dioxopyrrol-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate?
(2,5-dioxopyrrol-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate has a molecular weight of 264.19 g/mol, XLogP of -1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrol-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate is sourced from PubChem (CID 24976080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).