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

C18H14N2O2S — CID 24813898

IUPAC1-methyl-3-(2-methyl-1H-indol-3-yl)-4-thiophen-3-ylpyrrole-2,5-dione
SMILESCc1[nH]c2ccccc2c1C1=C(c2ccsc2)C(=O)N(C)C1=O
InChIInChI=1S/C18H14N2O2S/c1-10-14(12-5-3-4-6-13(12)19-10)16-15(11-7-8-23-9-11)17(21)20(2)18(16)22/h3-9,19H,1-2H3
InChIKeyXAJQNYUASLDUHE-UHFFFAOYSA-N
MW322.39 g/mol
LogP3.45
Rot. Bonds2

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

1-methyl-3-(2-methyl-1H-indol-3-yl)-4-thiophen-3-ylpyrrole-2,5-dione (PubChem CID 24813898) has the molecular formula C18H14N2O2S and a molecular weight of 322.39 g/mol. Its IUPAC name is 1-methyl-3-(2-methyl-1H-indol-3-yl)-4-thiophen-3-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-(2-methyl-1H-indol-3-yl)-4-thiophen-3-ylpyrrole-2,5-dione
PubChem CID24813898
Molecular FormulaC18H14N2O2S
Molecular Weight322.39 g/mol
Exact Mass322.08
IUPAC Name1-methyl-3-(2-methyl-1H-indol-3-yl)-4-thiophen-3-ylpyrrole-2,5-dione
SMILESCc1[nH]c2ccccc2c1C1=C(c2ccsc2)C(=O)N(C)C1=O
InChIInChI=1S/C18H14N2O2S/c1-10-14(12-5-3-4-6-13(12)19-10)16-15(11-7-8-23-9-11)17(21)20(2)18(16)22/h3-9,19H,1-2H3
InChIKeyXAJQNYUASLDUHE-UHFFFAOYSA-N
XLogP3.45
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methyl-1H-indol-3-yl)-4-thiophen-3-ylpyrrole-2,5-dione?
The IUPAC name of 1-methyl-3-(2-methyl-1H-indol-3-yl)-4-thiophen-3-ylpyrrole-2,5-dione (CID 24813898) is 1-methyl-3-(2-methyl-1H-indol-3-yl)-4-thiophen-3-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-methyl-3-(2-methyl-1H-indol-3-yl)-4-thiophen-3-ylpyrrole-2,5-dione?
The canonical SMILES for 1-methyl-3-(2-methyl-1H-indol-3-yl)-4-thiophen-3-ylpyrrole-2,5-dione is Cc1[nH]c2ccccc2c1C1=C(c2ccsc2)C(=O)N(C)C1=O.
What is the InChIKey of 1-methyl-3-(2-methyl-1H-indol-3-yl)-4-thiophen-3-ylpyrrole-2,5-dione?
The InChIKey is XAJQNYUASLDUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2S/c1-10-14(12-5-3-4-6-13(12)19-10)16-15(11-7-8-23-9-11)17(21)20(2)18(16)22/h3-9,19H,1-2H3.
What are the key properties of 1-methyl-3-(2-methyl-1H-indol-3-yl)-4-thiophen-3-ylpyrrole-2,5-dione?
1-methyl-3-(2-methyl-1H-indol-3-yl)-4-thiophen-3-ylpyrrole-2,5-dione has a molecular weight of 322.39 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methyl-1H-indol-3-yl)-4-thiophen-3-ylpyrrole-2,5-dione is sourced from PubChem (CID 24813898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).