3-fluoro-1-methylpyrrole-2,5-dione

C5H4FNO2 — CID 19830283

IUPAC3-fluoro-1-methylpyrrole-2,5-dione
SMILESCN1C(=O)C=C(F)C1=O
InChIInChI=1S/C5H4FNO2/c1-7-4(8)2-3(6)5(7)9/h2H,1H3
InChIKeyGUHKPMIZBDIPIT-UHFFFAOYSA-N
MW129.09 g/mol
LogP-0.16
Rot. Bonds

About 3-fluoro-1-methylpyrrole-2,5-dione

3-fluoro-1-methylpyrrole-2,5-dione (PubChem CID 19830283) has the molecular formula C5H4FNO2 and a molecular weight of 129.09 g/mol. Its IUPAC name is 3-fluoro-1-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-fluoro-1-methylpyrrole-2,5-dione
PubChem CID19830283
Molecular FormulaC5H4FNO2
Molecular Weight129.09 g/mol
Exact Mass129.02
IUPAC Name3-fluoro-1-methylpyrrole-2,5-dione
SMILESCN1C(=O)C=C(F)C1=O
InChIInChI=1S/C5H4FNO2/c1-7-4(8)2-3(6)5(7)9/h2H,1H3
InChIKeyGUHKPMIZBDIPIT-UHFFFAOYSA-N
XLogP-0.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.09
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Ethylmaleimide
CID 4362
N-Methylmaleimide
CID 70261
N-Allylmaleimide
CID 18098
1-Propyl-1H-pyrrole-2,5-dione
CID 89033
1-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 19821160
N-Ethyl-d5-maleimide
CID 71309877
thio-N-methylmaleimide
CID 129724009
2H-Pyrrol-2-one, 5,5-difluoro-1,5-dihydro-1-methyl-
CID 11263511
1-Acetyl-1H-pyrrole-2,5-dione
CID 14041118
1-(Iodomethyl)pyrrole-2,5-dione
CID 70129435
3,4-Difluoro-1-Methyl-1H-Pyrrole-2,5-Dione
CID 18513438
1-Methyl-3-(trifluoromethyl)pyrrole-2,5-dione
CID 18513440

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methylpyrrole-2,5-dione?
The IUPAC name of 3-fluoro-1-methylpyrrole-2,5-dione (CID 19830283) is 3-fluoro-1-methylpyrrole-2,5-dione.
What is the SMILES notation for 3-fluoro-1-methylpyrrole-2,5-dione?
The canonical SMILES for 3-fluoro-1-methylpyrrole-2,5-dione is CN1C(=O)C=C(F)C1=O.
What is the InChIKey of 3-fluoro-1-methylpyrrole-2,5-dione?
The InChIKey is GUHKPMIZBDIPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4FNO2/c1-7-4(8)2-3(6)5(7)9/h2H,1H3.
What are the key properties of 3-fluoro-1-methylpyrrole-2,5-dione?
3-fluoro-1-methylpyrrole-2,5-dione has a molecular weight of 129.09 g/mol, XLogP of -0.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methylpyrrole-2,5-dione is sourced from PubChem (CID 19830283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).