2-(2,5-dioxopyrrol-1-yl)-N-(1-ethoxyethyl)prop-2-enamide

C11H14N2O4 — CID 126550204

IUPAC2-(2,5-dioxopyrrol-1-yl)-N-(1-ethoxyethyl)prop-2-enamide
SMILESC=C(C(=O)NC(C)OCC)N1C(=O)C=CC1=O
InChIInChI=1S/C11H14N2O4/c1-4-17-8(3)12-11(16)7(2)13-9(14)5-6-10(13)15/h5-6,8H,2,4H2,1,3H3,(H,12,16)
InChIKeyWZGSYLIZEFPYTQ-UHFFFAOYSA-N
MW238.24 g/mol
LogP-0.08
Rot. Bonds5

About 2-(2,5-dioxopyrrol-1-yl)-N-(1-ethoxyethyl)prop-2-enamide

2-(2,5-dioxopyrrol-1-yl)-N-(1-ethoxyethyl)prop-2-enamide (PubChem CID 126550204) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrol-1-yl)-N-(1-ethoxyethyl)prop-2-enamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrol-1-yl)-N-(1-ethoxyethyl)prop-2-enamide
PubChem CID126550204
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-(2,5-dioxopyrrol-1-yl)-N-(1-ethoxyethyl)prop-2-enamide
SMILESC=C(C(=O)NC(C)OCC)N1C(=O)C=CC1=O
InChIInChI=1S/C11H14N2O4/c1-4-17-8(3)12-11(16)7(2)13-9(14)5-6-10(13)15/h5-6,8H,2,4H2,1,3H3,(H,12,16)
InChIKeyWZGSYLIZEFPYTQ-UHFFFAOYSA-N
XLogP-0.08
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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-(2,5-dioxopyrrol-1-yl)-N-(1-ethoxyethyl)prop-2-enamide?
The IUPAC name of 2-(2,5-dioxopyrrol-1-yl)-N-(1-ethoxyethyl)prop-2-enamide (CID 126550204) is 2-(2,5-dioxopyrrol-1-yl)-N-(1-ethoxyethyl)prop-2-enamide.
What is the SMILES notation for 2-(2,5-dioxopyrrol-1-yl)-N-(1-ethoxyethyl)prop-2-enamide?
The canonical SMILES for 2-(2,5-dioxopyrrol-1-yl)-N-(1-ethoxyethyl)prop-2-enamide is C=C(C(=O)NC(C)OCC)N1C(=O)C=CC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrol-1-yl)-N-(1-ethoxyethyl)prop-2-enamide?
The InChIKey is WZGSYLIZEFPYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-4-17-8(3)12-11(16)7(2)13-9(14)5-6-10(13)15/h5-6,8H,2,4H2,1,3H3,(H,12,16).
What are the key properties of 2-(2,5-dioxopyrrol-1-yl)-N-(1-ethoxyethyl)prop-2-enamide?
2-(2,5-dioxopyrrol-1-yl)-N-(1-ethoxyethyl)prop-2-enamide has a molecular weight of 238.24 g/mol, XLogP of -0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrol-1-yl)-N-(1-ethoxyethyl)prop-2-enamide is sourced from PubChem (CID 126550204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).