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

C11H14N2O4 — CID 58331311

IUPAC2-(2,5-dioxopyrrol-1-yl)-N-(2-ethoxyethyl)prop-2-enamide
SMILESC=C(C(=O)NCCOCC)N1C(=O)C=CC1=O
InChIInChI=1S/C11H14N2O4/c1-3-17-7-6-12-11(16)8(2)13-9(14)4-5-10(13)15/h4-5H,2-3,6-7H2,1H3,(H,12,16)
InChIKeyXBMDCRZQNLJUMH-UHFFFAOYSA-N
MW238.24 g/mol
LogP-0.42
Rot. Bonds6

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

2-(2,5-dioxopyrrol-1-yl)-N-(2-ethoxyethyl)prop-2-enamide (PubChem CID 58331311) 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-(2-ethoxyethyl)prop-2-enamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrol-1-yl)-N-(2-ethoxyethyl)prop-2-enamide
PubChem CID58331311
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-(2,5-dioxopyrrol-1-yl)-N-(2-ethoxyethyl)prop-2-enamide
SMILESC=C(C(=O)NCCOCC)N1C(=O)C=CC1=O
InChIInChI=1S/C11H14N2O4/c1-3-17-7-6-12-11(16)8(2)13-9(14)4-5-10(13)15/h4-5H,2-3,6-7H2,1H3,(H,12,16)
InChIKeyXBMDCRZQNLJUMH-UHFFFAOYSA-N
XLogP-0.42
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Hydroxyethyl)-3-(2-hydroxyethylamino)pyrrole-2,5-dione
CID 4531075
1-(2-Methoxyethyl)-3-(2-methoxyethylamino)pyrrole-2,5-dione
CID 43842652
3-Morpholin-4-ylpyrrole-2,5-dione
CID 17887767
2-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethyl]acetamide
CID 59157606
2-(2,5-dioxopyrrol-1-yl)-N-(2-methoxyethyl)acetamide
CID 115586377
2-(2,5-dioxopyrrol-1-yl)-N-[2-(3-ethoxypropanoylamino)ethyl]prop-2-enamide
CID 117854288
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide
CID 121412768
N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide
CID 121412817
N-(2-but-3-ynoxyethyl)-2-(2,5-dioxopyrrol-1-yl)acetamide
CID 122675011
N-[2-(2-azidoethoxy)ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide
CID 122675012
N-[2-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethoxy]ethyl]propanamide
CID 126550203
2-(2,5-dioxopyrrol-1-yl)-N-(1-ethoxyethyl)prop-2-enamide
CID 126550204

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrol-1-yl)-N-(2-ethoxyethyl)prop-2-enamide?
The IUPAC name of 2-(2,5-dioxopyrrol-1-yl)-N-(2-ethoxyethyl)prop-2-enamide (CID 58331311) is 2-(2,5-dioxopyrrol-1-yl)-N-(2-ethoxyethyl)prop-2-enamide.
What is the SMILES notation for 2-(2,5-dioxopyrrol-1-yl)-N-(2-ethoxyethyl)prop-2-enamide?
The canonical SMILES for 2-(2,5-dioxopyrrol-1-yl)-N-(2-ethoxyethyl)prop-2-enamide is C=C(C(=O)NCCOCC)N1C(=O)C=CC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrol-1-yl)-N-(2-ethoxyethyl)prop-2-enamide?
The InChIKey is XBMDCRZQNLJUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-3-17-7-6-12-11(16)8(2)13-9(14)4-5-10(13)15/h4-5H,2-3,6-7H2,1H3,(H,12,16).
What are the key properties of 2-(2,5-dioxopyrrol-1-yl)-N-(2-ethoxyethyl)prop-2-enamide?
2-(2,5-dioxopyrrol-1-yl)-N-(2-ethoxyethyl)prop-2-enamide has a molecular weight of 238.24 g/mol, XLogP of -0.42, 6 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-(2-ethoxyethyl)prop-2-enamide is sourced from PubChem (CID 58331311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).