ethyl 4-(2,5-dioxopyrrol-1-yl)butanoate

C10H13NO4 — CID 23274068

IUPACethyl 4-(2,5-dioxopyrrol-1-yl)butanoate
SMILESCCOC(=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H13NO4/c1-2-15-10(14)4-3-7-11-8(12)5-6-9(11)13/h5-6H,2-4,7H2,1H3
InChIKeyZCPFYLXMSISASU-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.25
Rot. Bonds5

About ethyl 4-(2,5-dioxopyrrol-1-yl)butanoate

ethyl 4-(2,5-dioxopyrrol-1-yl)butanoate (PubChem CID 23274068) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is ethyl 4-(2,5-dioxopyrrol-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 4-(2,5-dioxopyrrol-1-yl)butanoate
PubChem CID23274068
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Nameethyl 4-(2,5-dioxopyrrol-1-yl)butanoate
SMILESCCOC(=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H13NO4/c1-2-15-10(14)4-3-7-11-8(12)5-6-9(11)13/h5-6H,2-4,7H2,1H3
InChIKeyZCPFYLXMSISASU-UHFFFAOYSA-N
XLogP0.25
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 4-(2,5-dioxopyrrol-1-yl)butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Maleimidobutyric Acid
CID 3404904
Methyl 4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)butanoate
CID 11629774
Sodium 4-maleimidobutyrate
CID 121347902
ethyl (E)-4-oxo-4-(2-oxopyrrolidin-1-yl)but-2-enoate
CID 101480461
ethyl 3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanoate
CID 11171588
2-Methylpropoxycarbonyl 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 15755510
4-Ethoxybutyl 3-(2,5-dioxopyrrol-1-yl)propanoate
CID 17857411
2-Ethoxyethyl 3-(2,5-dioxopyrrol-1-yl)propanoate
CID 17857425
1-(2,5-Dioxopyrrol-1-yl)ethyl acetate
CID 17973877
1-(4-Methoxybutyl)pyrrole-2,5-dione
CID 19421210
3-(2,5-Dioxopyrrol-1-yl)propyl acetate
CID 19748567
Thionitroso 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 21351005

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,5-dioxopyrrol-1-yl)butanoate?
The IUPAC name of ethyl 4-(2,5-dioxopyrrol-1-yl)butanoate (CID 23274068) is ethyl 4-(2,5-dioxopyrrol-1-yl)butanoate.
What is the SMILES notation for ethyl 4-(2,5-dioxopyrrol-1-yl)butanoate?
The canonical SMILES for ethyl 4-(2,5-dioxopyrrol-1-yl)butanoate is CCOC(=O)CCCN1C(=O)C=CC1=O.
What is the InChIKey of ethyl 4-(2,5-dioxopyrrol-1-yl)butanoate?
The InChIKey is ZCPFYLXMSISASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-2-15-10(14)4-3-7-11-8(12)5-6-9(11)13/h5-6H,2-4,7H2,1H3.
What are the key properties of ethyl 4-(2,5-dioxopyrrol-1-yl)butanoate?
ethyl 4-(2,5-dioxopyrrol-1-yl)butanoate has a molecular weight of 211.22 g/mol, XLogP of 0.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,5-dioxopyrrol-1-yl)butanoate is sourced from PubChem (CID 23274068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).