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

C9H11NO4 — CID 139903070

IUPAC(2,5-dioxopyrrolidin-3-yl) pent-2-enoate
SMILESCCC=CC(=O)OC1CC(=O)NC1=O
InChIInChI=1S/C9H11NO4/c1-2-3-4-8(12)14-6-5-7(11)10-9(6)13/h3-4,6H,2,5H2,1H3,(H,10,11,13)
InChIKeyWUARNWHSSPVNIA-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.09
Rot. Bonds3

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

(2,5-dioxopyrrolidin-3-yl) pent-2-enoate (PubChem CID 139903070) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-3-yl) pent-2-enoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-3-yl) pent-2-enoate
PubChem CID139903070
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name(2,5-dioxopyrrolidin-3-yl) pent-2-enoate
SMILESCCC=CC(=O)OC1CC(=O)NC1=O
InChIInChI=1S/C9H11NO4/c1-2-3-4-8(12)14-6-5-7(11)10-9(6)13/h3-4,6H,2,5H2,1H3,(H,10,11,13)
InChIKeyWUARNWHSSPVNIA-UHFFFAOYSA-N
XLogP-0.09
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', '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-3-yl) pent-2-enoate?
The IUPAC name of (2,5-dioxopyrrolidin-3-yl) pent-2-enoate (CID 139903070) is (2,5-dioxopyrrolidin-3-yl) pent-2-enoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-3-yl) pent-2-enoate?
The canonical SMILES for (2,5-dioxopyrrolidin-3-yl) pent-2-enoate is CCC=CC(=O)OC1CC(=O)NC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-3-yl) pent-2-enoate?
The InChIKey is WUARNWHSSPVNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c1-2-3-4-8(12)14-6-5-7(11)10-9(6)13/h3-4,6H,2,5H2,1H3,(H,10,11,13).
What are the key properties of (2,5-dioxopyrrolidin-3-yl) pent-2-enoate?
(2,5-dioxopyrrolidin-3-yl) pent-2-enoate has a molecular weight of 197.19 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-3-yl) pent-2-enoate is sourced from PubChem (CID 139903070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).