3,4-bis(1-methylindol-3-yl)pyrrole-2,5-dione

C22H17N3O2 — CID 5327655

IUPAC3,4-bis(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cn(C)c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C22H17N3O2/c1-24-11-15(13-7-3-5-9-17(13)24)19-20(22(27)23-21(19)26)16-12-25(2)18-10-6-4-8-14(16)18/h3-12H,1-2H3,(H,23,26,27)
InChIKeyDWLMLPCWSGBXMZ-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.24
Rot. Bonds2

About 3,4-bis(1-methylindol-3-yl)pyrrole-2,5-dione

3,4-bis(1-methylindol-3-yl)pyrrole-2,5-dione (PubChem CID 5327655) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 3,4-bis(1-methylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3,4-bis(1-methylindol-3-yl)pyrrole-2,5-dione
PubChem CID5327655
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name3,4-bis(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cn(C)c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C22H17N3O2/c1-24-11-15(13-7-3-5-9-17(13)24)19-20(22(27)23-21(19)26)16-12-25(2)18-10-6-4-8-14(16)18/h3-12H,1-2H3,(H,23,26,27)
InChIKeyDWLMLPCWSGBXMZ-UHFFFAOYSA-N
XLogP3.24
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(1-methylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3,4-bis(1-methylindol-3-yl)pyrrole-2,5-dione (CID 5327655) is 3,4-bis(1-methylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3,4-bis(1-methylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3,4-bis(1-methylindol-3-yl)pyrrole-2,5-dione is Cn1cc(C2=C(c3cn(C)c4ccccc34)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3,4-bis(1-methylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is DWLMLPCWSGBXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c1-24-11-15(13-7-3-5-9-17(13)24)19-20(22(27)23-21(19)26)16-12-25(2)18-10-6-4-8-14(16)18/h3-12H,1-2H3,(H,23,26,27).
What are the key properties of 3,4-bis(1-methylindol-3-yl)pyrrole-2,5-dione?
3,4-bis(1-methylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 355.40 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(1-methylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 5327655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).