1-methyl-3-pyrrolidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione

C13H14N2O2S — CID 110552990

IUPAC1-methyl-3-pyrrolidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCN1C(=O)C(c2cccs2)=C(N2CCCC2)C1=O
InChIInChI=1S/C13H14N2O2S/c1-14-12(16)10(9-5-4-8-18-9)11(13(14)17)15-6-2-3-7-15/h4-5,8H,2-3,6-7H2,1H3
InChIKeyCMKPVFMCCRVAPZ-UHFFFAOYSA-N
MW262.33 g/mol
LogP1.55
Rot. Bonds2

About 1-methyl-3-pyrrolidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione

1-methyl-3-pyrrolidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione (PubChem CID 110552990) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 1-methyl-3-pyrrolidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-pyrrolidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione
PubChem CID110552990
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name1-methyl-3-pyrrolidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCN1C(=O)C(c2cccs2)=C(N2CCCC2)C1=O
InChIInChI=1S/C13H14N2O2S/c1-14-12(16)10(9-5-4-8-18-9)11(13(14)17)15-6-2-3-7-15/h4-5,8H,2-3,6-7H2,1H3
InChIKeyCMKPVFMCCRVAPZ-UHFFFAOYSA-N
XLogP1.55
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-propan-2-yl-3-pyrrolidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553811
1-methyl-3-[4-(3-methylphenyl)piperazin-1-yl]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552998
1-octyl-3-piperidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553714
1-[4-(dimethylamino)phenyl]-3-pyrrolidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552277
3-(2,3-dihydroindol-1-yl)-1-methyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553012
1-[4-(dimethylamino)phenyl]-3-piperidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552273
1-(3-methoxyphenyl)-3-pyrrolidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552038
1-[2-(3,5-dimethylphenoxy)ethyl]-3-pyrrolidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553751
1-[2-(4-chlorophenyl)ethyl]-3-piperidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552304
1-[2-(4-fluorophenyl)ethyl]-3-piperidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552332
3-(4-ethylpiperazin-1-yl)-1-(4-pyrrolidin-1-ylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552228
3-(4-methylpiperazin-1-yl)-1-(2-methylpropyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553444

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-pyrrolidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione?
The IUPAC name of 1-methyl-3-pyrrolidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione (CID 110552990) is 1-methyl-3-pyrrolidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-methyl-3-pyrrolidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione?
The canonical SMILES for 1-methyl-3-pyrrolidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione is CN1C(=O)C(c2cccs2)=C(N2CCCC2)C1=O.
What is the InChIKey of 1-methyl-3-pyrrolidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione?
The InChIKey is CMKPVFMCCRVAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-14-12(16)10(9-5-4-8-18-9)11(13(14)17)15-6-2-3-7-15/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 1-methyl-3-pyrrolidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione?
1-methyl-3-pyrrolidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione has a molecular weight of 262.33 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-pyrrolidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110552990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).