3-(2,3-dihydroindol-1-yl)-1-methyl-4-thiophen-2-ylpyrrole-2,5-dione

C17H14N2O2S — CID 110553012

IUPAC3-(2,3-dihydroindol-1-yl)-1-methyl-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCN1C(=O)C(c2cccs2)=C(N2CCc3ccccc32)C1=O
InChIInChI=1S/C17H14N2O2S/c1-18-16(20)14(13-7-4-10-22-13)15(17(18)21)19-9-8-11-5-2-3-6-12(11)19/h2-7,10H,8-9H2,1H3
InChIKeyXKNMLPNUUUQKPA-UHFFFAOYSA-N
MW310.38 g/mol
LogP2.52
Rot. Bonds2

About 3-(2,3-dihydroindol-1-yl)-1-methyl-4-thiophen-2-ylpyrrole-2,5-dione

3-(2,3-dihydroindol-1-yl)-1-methyl-4-thiophen-2-ylpyrrole-2,5-dione (PubChem CID 110553012) has the molecular formula C17H14N2O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-yl)-1-methyl-4-thiophen-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-yl)-1-methyl-4-thiophen-2-ylpyrrole-2,5-dione
PubChem CID110553012
Molecular FormulaC17H14N2O2S
Molecular Weight310.38 g/mol
Exact Mass310.08
IUPAC Name3-(2,3-dihydroindol-1-yl)-1-methyl-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCN1C(=O)C(c2cccs2)=C(N2CCc3ccccc32)C1=O
InChIInChI=1S/C17H14N2O2S/c1-18-16(20)14(13-7-4-10-22-13)15(17(18)21)19-9-8-11-5-2-3-6-12(11)19/h2-7,10H,8-9H2,1H3
InChIKeyXKNMLPNUUUQKPA-UHFFFAOYSA-N
XLogP2.52
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.52
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

3-(2,3-dihydroindol-1-yl)-1-(4-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553964
1-(3-chloro-2-methylphenyl)-3-(2,3-dihydroindol-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553995
3-(2,3-dihydroindol-1-yl)-1-(3,4-dimethylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110554246
3-(2,3-dihydroindol-1-yl)-1-[4-(dimethylamino)phenyl]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552293
1-methyl-3-pyrrolidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552990
1-cyclohexyl-3-(3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553150
3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553962
3-(3,4-dihydro-2H-quinolin-1-yl)-1-[2-(4-methoxyphenyl)ethyl]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552414
1-(3-chloro-4-methylphenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110555069
1-[(2-chlorophenyl)methyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552521
3-(3,4-dihydro-2H-quinolin-1-yl)-1-[(4-methoxyphenyl)methyl]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552461
3-(3,4-dihydro-2H-quinolin-1-yl)-1-methyl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575255

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-yl)-1-methyl-4-thiophen-2-ylpyrrole-2,5-dione?
The IUPAC name of 3-(2,3-dihydroindol-1-yl)-1-methyl-4-thiophen-2-ylpyrrole-2,5-dione (CID 110553012) is 3-(2,3-dihydroindol-1-yl)-1-methyl-4-thiophen-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(2,3-dihydroindol-1-yl)-1-methyl-4-thiophen-2-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(2,3-dihydroindol-1-yl)-1-methyl-4-thiophen-2-ylpyrrole-2,5-dione is CN1C(=O)C(c2cccs2)=C(N2CCc3ccccc32)C1=O.
What is the InChIKey of 3-(2,3-dihydroindol-1-yl)-1-methyl-4-thiophen-2-ylpyrrole-2,5-dione?
The InChIKey is XKNMLPNUUUQKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S/c1-18-16(20)14(13-7-4-10-22-13)15(17(18)21)19-9-8-11-5-2-3-6-12(11)19/h2-7,10H,8-9H2,1H3.
What are the key properties of 3-(2,3-dihydroindol-1-yl)-1-methyl-4-thiophen-2-ylpyrrole-2,5-dione?
3-(2,3-dihydroindol-1-yl)-1-methyl-4-thiophen-2-ylpyrrole-2,5-dione has a molecular weight of 310.38 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-yl)-1-methyl-4-thiophen-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110553012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).