(2,5-dioxopyrrolidin-1-yl) pent-3-enoate

C9H11NO4 — CID 118461768

IUPAC(2,5-dioxopyrrolidin-1-yl) pent-3-enoate
SMILESCC=CCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C9H11NO4/c1-2-3-4-9(13)14-10-7(11)5-6-8(10)12/h2-3H,4-6H2,1H3
InChIKeyLCDFGHZPVYJXOM-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.56
Rot. Bonds3

About (2,5-dioxopyrrolidin-1-yl) pent-3-enoate

(2,5-dioxopyrrolidin-1-yl) pent-3-enoate (PubChem CID 118461768) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) pent-3-enoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) pent-3-enoate
PubChem CID118461768
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name(2,5-dioxopyrrolidin-1-yl) pent-3-enoate
SMILESCC=CCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C9H11NO4/c1-2-3-4-9(13)14-10-7(11)5-6-8(10)12/h2-3H,4-6H2,1H3
InChIKeyLCDFGHZPVYJXOM-UHFFFAOYSA-N
XLogP0.56
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) pent-3-enoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) pent-3-enoate (CID 118461768) is (2,5-dioxopyrrolidin-1-yl) pent-3-enoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) pent-3-enoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) pent-3-enoate is CC=CCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) pent-3-enoate?
The InChIKey is LCDFGHZPVYJXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c1-2-3-4-9(13)14-10-7(11)5-6-8(10)12/h2-3H,4-6H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) pent-3-enoate?
(2,5-dioxopyrrolidin-1-yl) pent-3-enoate has a molecular weight of 197.19 g/mol, XLogP of 0.56, 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) pent-3-enoate is sourced from PubChem (CID 118461768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).