3-methyl-1-tritiopyrrole-2,5-dione

C5H5NO2 — CID 59061540

IUPAC3-methyl-1-tritiopyrrole-2,5-dione
SMILES[3H]N1C(=O)C=C(C)C1=O
InChIInChI=1S/C5H5NO2/c1-3-2-4(7)6-5(3)8/h2H,1H3,(H,6,7,8)/i/hT
InChIKeyZLPORNPZJNRGCO-MNYXATJNSA-N
MW113.11 g/mol
LogP-0.41
Rot. Bonds

About 3-methyl-1-tritiopyrrole-2,5-dione

3-methyl-1-tritiopyrrole-2,5-dione (PubChem CID 59061540) has the molecular formula C5H5NO2 and a molecular weight of 113.11 g/mol. Its IUPAC name is 3-methyl-1-tritiopyrrole-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-tritiopyrrole-2,5-dione
PubChem CID59061540
Molecular FormulaC5H5NO2
Molecular Weight113.11 g/mol
Exact Mass113.04
IUPAC Name3-methyl-1-tritiopyrrole-2,5-dione
SMILES[3H]N1C(=O)C=C(C)C1=O
InChIInChI=1S/C5H5NO2/c1-3-2-4(7)6-5(3)8/h2H,1H3,(H,6,7,8)/i/hT
InChIKeyZLPORNPZJNRGCO-MNYXATJNSA-N
XLogP-0.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.11
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Citraconimide
CID 95941
2,3-Dimethylmaleimide
CID 28793
4-Methyl-1,2-dihydropyrrol-5-one
CID 14784415
Ethyl maleimide
CID 14671028
Ethylenemaleimide
CID 18329249
Chloromethylmaleimide
CID 90891674
3-Prop-1-enylpyrrole-2,5-dione
CID 129634393
N-acetyl methacrylamide
CID 21867965
(E)-N-(2,2-dimethylpropanoyl)-2-methylbut-2-enamide
CID 45119422
Bromcitraconimid
CID 129634382
(E)-N-acetyl-2-(trifluoromethyl)but-2-enamide
CID 149348503
2,5-Dioxopyrrole-3-carboxamide
CID 19801261

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-tritiopyrrole-2,5-dione?
The IUPAC name of 3-methyl-1-tritiopyrrole-2,5-dione (CID 59061540) is 3-methyl-1-tritiopyrrole-2,5-dione.
What is the SMILES notation for 3-methyl-1-tritiopyrrole-2,5-dione?
The canonical SMILES for 3-methyl-1-tritiopyrrole-2,5-dione is [3H]N1C(=O)C=C(C)C1=O.
What is the InChIKey of 3-methyl-1-tritiopyrrole-2,5-dione?
The InChIKey is ZLPORNPZJNRGCO-MNYXATJNSA-N. The full InChI is InChI=1S/C5H5NO2/c1-3-2-4(7)6-5(3)8/h2H,1H3,(H,6,7,8)/i/hT.
What are the key properties of 3-methyl-1-tritiopyrrole-2,5-dione?
3-methyl-1-tritiopyrrole-2,5-dione has a molecular weight of 113.11 g/mol, XLogP of -0.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-tritiopyrrole-2,5-dione is sourced from PubChem (CID 59061540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).