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

C15H18N2O2S — CID 110553811

IUPAC1-propan-2-yl-3-pyrrolidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCC(C)N1C(=O)C(c2cccs2)=C(N2CCCC2)C1=O
InChIInChI=1S/C15H18N2O2S/c1-10(2)17-14(18)12(11-6-5-9-20-11)13(15(17)19)16-7-3-4-8-16/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyQUPRVQBYNAAQRM-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.33
Rot. Bonds3

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

1-propan-2-yl-3-pyrrolidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione (PubChem CID 110553811) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-propan-2-yl-3-pyrrolidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-propan-2-yl-3-pyrrolidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione
PubChem CID110553811
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name1-propan-2-yl-3-pyrrolidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCC(C)N1C(=O)C(c2cccs2)=C(N2CCCC2)C1=O
InChIInChI=1S/C15H18N2O2S/c1-10(2)17-14(18)12(11-6-5-9-20-11)13(15(17)19)16-7-3-4-8-16/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyQUPRVQBYNAAQRM-UHFFFAOYSA-N
XLogP2.33
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.33
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-methyl-3-pyrrolidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552990
3-(2,6-dimethylmorpholin-4-yl)-1-propan-2-yl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553814
1-[4-(dimethylamino)phenyl]-3-pyrrolidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552277
1-[4-(dimethylamino)phenyl]-3-piperidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552273
3-(4-methylpiperazin-1-yl)-1-(2-methylpropyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553444
1-octyl-3-piperidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553714
3-(4-chlorophenyl)-4-piperidin-1-yl-1-propan-2-ylpyrrole-2,5-dione
CID 110570292
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
3-(4-ethylpiperazin-1-yl)-1-(4-pyrrolidin-1-ylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552228
1-(3-ethoxyphenyl)-3-piperidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552067
3-(4-nitrophenyl)-1-propan-2-yl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110541926

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-pyrrolidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione?
The IUPAC name of 1-propan-2-yl-3-pyrrolidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione (CID 110553811) is 1-propan-2-yl-3-pyrrolidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-propan-2-yl-3-pyrrolidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione?
The canonical SMILES for 1-propan-2-yl-3-pyrrolidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione is CC(C)N1C(=O)C(c2cccs2)=C(N2CCCC2)C1=O.
What is the InChIKey of 1-propan-2-yl-3-pyrrolidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione?
The InChIKey is QUPRVQBYNAAQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-10(2)17-14(18)12(11-6-5-9-20-11)13(15(17)19)16-7-3-4-8-16/h5-6,9-10H,3-4,7-8H2,1-2H3.
What are the key properties of 1-propan-2-yl-3-pyrrolidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione?
1-propan-2-yl-3-pyrrolidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione has a molecular weight of 290.39 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-pyrrolidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110553811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).