(2,5-dioxopyrrolidin-1-yl) (2E,4E)-hexa-2,4-dienoate

C10H11NO4 — CID 15630360

IUPAC(2,5-dioxopyrrolidin-1-yl) (2E,4E)-hexa-2,4-dienoate
SMILESC/C=C/C=C/C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C10H11NO4/c1-2-3-4-5-10(14)15-11-8(12)6-7-9(11)13/h2-5H,6-7H2,1H3/b3-2+,5-4+
InChIKeyRGGUBFBWXJWWPL-MQQKCMAXSA-N
MW209.20 g/mol
LogP0.73
Rot. Bonds3

About (2,5-dioxopyrrolidin-1-yl) (2E,4E)-hexa-2,4-dienoate

(2,5-dioxopyrrolidin-1-yl) (2E,4E)-hexa-2,4-dienoate (PubChem CID 15630360) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) (2E,4E)-hexa-2,4-dienoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) (2E,4E)-hexa-2,4-dienoate
PubChem CID15630360
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name(2,5-dioxopyrrolidin-1-yl) (2E,4E)-hexa-2,4-dienoate
SMILESC/C=C/C=C/C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C10H11NO4/c1-2-3-4-5-10(14)15-11-8(12)6-7-9(11)13/h2-5H,6-7H2,1H3/b3-2+,5-4+
InChIKeyRGGUBFBWXJWWPL-MQQKCMAXSA-N
XLogP0.73
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) (2E,4E)-hexa-2,4-dienoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) (2E,4E)-hexa-2,4-dienoate (CID 15630360) is (2,5-dioxopyrrolidin-1-yl) (2E,4E)-hexa-2,4-dienoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) (2E,4E)-hexa-2,4-dienoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) (2E,4E)-hexa-2,4-dienoate is C/C=C/C=C/C(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) (2E,4E)-hexa-2,4-dienoate?
The InChIKey is RGGUBFBWXJWWPL-MQQKCMAXSA-N. The full InChI is InChI=1S/C10H11NO4/c1-2-3-4-5-10(14)15-11-8(12)6-7-9(11)13/h2-5H,6-7H2,1H3/b3-2+,5-4+.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) (2E,4E)-hexa-2,4-dienoate?
(2,5-dioxopyrrolidin-1-yl) (2E,4E)-hexa-2,4-dienoate has a molecular weight of 209.20 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) (2E,4E)-hexa-2,4-dienoate is sourced from PubChem (CID 15630360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).