3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-dione

C21H15N3O2 — CID 2400

IUPAC3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-dione
SMILESCN1C(=O)C(c2c[nH]c3ccccc23)=C(c2c[nH]c3ccccc23)C1=O
InChIInChI=1S/C21H15N3O2/c1-24-20(25)18(14-10-22-16-8-4-2-6-12(14)16)19(21(24)26)15-11-23-17-9-5-3-7-13(15)17/h2-11,22-23H,1H3
InChIKeySWAWYMIKGOHZMR-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.56
Rot. Bonds2

About 3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-dione

3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-dione (PubChem CID 2400) has the molecular formula C21H15N3O2 and a molecular weight of 341.37 g/mol. Its IUPAC name is 3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-dione
PubChem CID2400
Molecular FormulaC21H15N3O2
Molecular Weight341.37 g/mol
Exact Mass341.12
IUPAC Name3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-dione
SMILESCN1C(=O)C(c2c[nH]c3ccccc23)=C(c2c[nH]c3ccccc23)C1=O
InChIInChI=1S/C21H15N3O2/c1-24-20(25)18(14-10-22-16-8-4-2-6-12(14)16)19(21(24)26)15-11-23-17-9-5-3-7-13(15)17/h2-11,22-23H,1H3
InChIKeySWAWYMIKGOHZMR-UHFFFAOYSA-N
XLogP3.56
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(1H-indol-3-yl)-1-methyl-4-[1-(2-phenylethyl)indol-3-yl]pyrrole-2,5-dione
CID 148910370
tert-butyl 3-[4-(1H-indol-3-yl)-1-methyl-2,5-dioxopyrrol-3-yl]indole-1-carboxylate
CID 11166603
3-(1H-indol-3-yl)-1-methyl-4-[(tributyl-λ5-phosphanylidene)amino]pyrrole-2,5-dione
CID 10623032
3-(1H-indol-3-yl)-1-methyl-4-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]pyrrole-2,5-dione
CID 25215540
3-(1H-indol-3-yl)-4-(1-methylindol-3-yl)furan-2,5-dione
CID 14855714
3-[3-[(dimethylamino)methyl]indol-1-yl]-4-(1H-indol-3-yl)-1-methylpyrrole-2,5-dione
CID 15132380
methyl (2S)-2-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]propanoate
CID 46218510
2-[2-[3-[4-(1H-indol-3-yl)-1-methyl-2,5-dioxopyrrol-3-yl]indol-1-yl]ethoxy]ethyl acetate
CID 102019849
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
3,4-bis(1H-indol-3-yl)-1-(phenylmethoxymethyl)pyrrole-2,5-dione
CID 54317988
methyl (2S)-2-[[2-[3-[4-(1H-indol-3-yl)-1-methyl-2,5-dioxopyrrol-3-yl]indol-1-yl]acetyl]amino]-3-methylbutanoate
CID 46933956
3-(5-methoxy-1H-indol-3-yl)-1-methyl-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione
CID 23650713

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-dione?
The IUPAC name of 3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-dione (CID 2400) is 3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-dione.
What is the SMILES notation for 3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-dione?
The canonical SMILES for 3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-dione is CN1C(=O)C(c2c[nH]c3ccccc23)=C(c2c[nH]c3ccccc23)C1=O.
What is the InChIKey of 3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-dione?
The InChIKey is SWAWYMIKGOHZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O2/c1-24-20(25)18(14-10-22-16-8-4-2-6-12(14)16)19(21(24)26)15-11-23-17-9-5-3-7-13(15)17/h2-11,22-23H,1H3.
What are the key properties of 3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-dione?
3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-dione has a molecular weight of 341.37 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-dione is sourced from PubChem (CID 2400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).