1-ethylpyrrole-2,5-dione;2-iodoacetamide

C8H11IN2O3 — CID 66919154

IUPAC1-ethylpyrrole-2,5-dione;2-iodoacetamide
SMILESCCN1C(=O)C=CC1=O.NC(=O)CI
InChIInChI=1S/C6H7NO2.C2H4INO/c1-2-7-5(8)3-4-6(7)9;3-1-2(4)5/h3-4H,2H2,1H3;1H2,(H2,4,5)
InChIKeyALUNOIDAUGIFJH-UHFFFAOYSA-N
MW310.09 g/mol
LogP-0.16
Rot. Bonds2

About 1-ethylpyrrole-2,5-dione;2-iodoacetamide

1-ethylpyrrole-2,5-dione;2-iodoacetamide (PubChem CID 66919154) has the molecular formula C8H11IN2O3 and a molecular weight of 310.09 g/mol. Its IUPAC name is 1-ethylpyrrole-2,5-dione;2-iodoacetamide.

Molecular Properties

Compound Name1-ethylpyrrole-2,5-dione;2-iodoacetamide
PubChem CID66919154
Molecular FormulaC8H11IN2O3
Molecular Weight310.09 g/mol
Exact Mass309.98
IUPAC Name1-ethylpyrrole-2,5-dione;2-iodoacetamide
SMILESCCN1C(=O)C=CC1=O.NC(=O)CI
InChIInChI=1S/C6H7NO2.C2H4INO/c1-2-7-5(8)3-4-6(7)9;3-1-2(4)5/h3-4H,2H2,1H3;1H2,(H2,4,5)
InChIKeyALUNOIDAUGIFJH-UHFFFAOYSA-N
XLogP-0.16
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.09
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-ethylpyrrole-2,5-dione;2-iodoacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethylpyrrole-2,5-dione;2-iodoacetamide?
The IUPAC name of 1-ethylpyrrole-2,5-dione;2-iodoacetamide (CID 66919154) is 1-ethylpyrrole-2,5-dione;2-iodoacetamide.
What is the SMILES notation for 1-ethylpyrrole-2,5-dione;2-iodoacetamide?
The canonical SMILES for 1-ethylpyrrole-2,5-dione;2-iodoacetamide is CCN1C(=O)C=CC1=O.NC(=O)CI.
What is the InChIKey of 1-ethylpyrrole-2,5-dione;2-iodoacetamide?
The InChIKey is ALUNOIDAUGIFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2.C2H4INO/c1-2-7-5(8)3-4-6(7)9;3-1-2(4)5/h3-4H,2H2,1H3;1H2,(H2,4,5).
What are the key properties of 1-ethylpyrrole-2,5-dione;2-iodoacetamide?
1-ethylpyrrole-2,5-dione;2-iodoacetamide has a molecular weight of 310.09 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpyrrole-2,5-dione;2-iodoacetamide is sourced from PubChem (CID 66919154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).