1-(iodomethyl)pyrrole-2,5-dione

C5H4INO2 — CID 70129435

IUPAC1-(iodomethyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CI
InChIInChI=1S/C5H4INO2/c6-3-7-4(8)1-2-5(7)9/h1-2H,3H2
InChIKeyNMONSFYZJOHEQL-UHFFFAOYSA-N
MW237.00 g/mol
LogP0.30
Rot. Bonds1

About 1-(iodomethyl)pyrrole-2,5-dione

1-(iodomethyl)pyrrole-2,5-dione (PubChem CID 70129435) has the molecular formula C5H4INO2 and a molecular weight of 237.00 g/mol. Its IUPAC name is 1-(iodomethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(iodomethyl)pyrrole-2,5-dione
PubChem CID70129435
Molecular FormulaC5H4INO2
Molecular Weight237.00 g/mol
Exact Mass236.93
IUPAC Name1-(iodomethyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CI
InChIInChI=1S/C5H4INO2/c6-3-7-4(8)1-2-5(7)9/h1-2H,3H2
InChIKeyNMONSFYZJOHEQL-UHFFFAOYSA-N
XLogP0.30
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.00
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Ethylmaleimide
CID 4362
N-Methylmaleimide
CID 70261
N-Methylolmaleimide
CID 227678
N-Allylmaleimide
CID 18098
1-Ethenyl-1H-pyrrole-2,5-dione
CID 24358
1-Propyl-1H-pyrrole-2,5-dione
CID 89033
1-(prop-2-yn-1-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 10214393
Maleimide, N-chloromethyl-
CID 24359
N-Ethyl-d5-maleimide
CID 71309877
1-Acetyl-1H-pyrrole-2,5-dione
CID 14041118
2,5-Dioxopyrrole-1-carbaldehyde
CID 18718364
3-Fluoro-1-methylpyrrole-2,5-dione
CID 19830283

Frequently Asked Questions

What is the IUPAC name of 1-(iodomethyl)pyrrole-2,5-dione?
The IUPAC name of 1-(iodomethyl)pyrrole-2,5-dione (CID 70129435) is 1-(iodomethyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(iodomethyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(iodomethyl)pyrrole-2,5-dione is O=C1C=CC(=O)N1CI.
What is the InChIKey of 1-(iodomethyl)pyrrole-2,5-dione?
The InChIKey is NMONSFYZJOHEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4INO2/c6-3-7-4(8)1-2-5(7)9/h1-2H,3H2.
What are the key properties of 1-(iodomethyl)pyrrole-2,5-dione?
1-(iodomethyl)pyrrole-2,5-dione has a molecular weight of 237.00 g/mol, XLogP of 0.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(iodomethyl)pyrrole-2,5-dione is sourced from PubChem (CID 70129435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).