(E)-N-(2,5-dioxopyrrolidin-3-yl)but-2-enamide

C8H10N2O3 — CID 110459684

IUPAC(E)-N-(2,5-dioxopyrrolidin-3-yl)but-2-enamide
SMILESC/C=C/C(=O)NC1CC(=O)NC1=O
InChIInChI=1S/C8H10N2O3/c1-2-3-6(11)9-5-4-7(12)10-8(5)13/h2-3,5H,4H2,1H3,(H,9,11)(H,10,12,13)/b3-2+
InChIKeyYKRRJJHUAACFAD-NSCUHMNNSA-N
MW182.18 g/mol
LogP-0.91
Rot. Bonds2

About (E)-N-(2,5-dioxopyrrolidin-3-yl)but-2-enamide

(E)-N-(2,5-dioxopyrrolidin-3-yl)but-2-enamide (PubChem CID 110459684) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is (E)-N-(2,5-dioxopyrrolidin-3-yl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,5-dioxopyrrolidin-3-yl)but-2-enamide
PubChem CID110459684
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name(E)-N-(2,5-dioxopyrrolidin-3-yl)but-2-enamide
SMILESC/C=C/C(=O)NC1CC(=O)NC1=O
InChIInChI=1S/C8H10N2O3/c1-2-3-6(11)9-5-4-7(12)10-8(5)13/h2-3,5H,4H2,1H3,(H,9,11)(H,10,12,13)/b3-2+
InChIKeyYKRRJJHUAACFAD-NSCUHMNNSA-N
XLogP-0.91
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (E)-N-(2,5-dioxopyrrolidin-3-yl)but-2-enamide?
The IUPAC name of (E)-N-(2,5-dioxopyrrolidin-3-yl)but-2-enamide (CID 110459684) is (E)-N-(2,5-dioxopyrrolidin-3-yl)but-2-enamide.
What is the SMILES notation for (E)-N-(2,5-dioxopyrrolidin-3-yl)but-2-enamide?
The canonical SMILES for (E)-N-(2,5-dioxopyrrolidin-3-yl)but-2-enamide is C/C=C/C(=O)NC1CC(=O)NC1=O.
What is the InChIKey of (E)-N-(2,5-dioxopyrrolidin-3-yl)but-2-enamide?
The InChIKey is YKRRJJHUAACFAD-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-2-3-6(11)9-5-4-7(12)10-8(5)13/h2-3,5H,4H2,1H3,(H,9,11)(H,10,12,13)/b3-2+.
What are the key properties of (E)-N-(2,5-dioxopyrrolidin-3-yl)but-2-enamide?
(E)-N-(2,5-dioxopyrrolidin-3-yl)but-2-enamide has a molecular weight of 182.18 g/mol, XLogP of -0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,5-dioxopyrrolidin-3-yl)but-2-enamide is sourced from PubChem (CID 110459684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).