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

C22H17N3O2 — CID 22410468

IUPAC3,4-bis(5-methyl-1H-indol-3-yl)pyrrole-2,5-dione
SMILESCc1ccc2[nH]cc(C3=C(c4c[nH]c5ccc(C)cc45)C(=O)NC3=O)c2c1
InChIInChI=1S/C22H17N3O2/c1-11-3-5-17-13(7-11)15(9-23-17)19-20(22(27)25-21(19)26)16-10-24-18-6-4-12(2)8-14(16)18/h3-10,23-24H,1-2H3,(H,25,26,27)
InChIKeyJDSGCOSJCMIJIG-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.83
Rot. Bonds2

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

3,4-bis(5-methyl-1H-indol-3-yl)pyrrole-2,5-dione (PubChem CID 22410468) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 3,4-bis(5-methyl-1H-indol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3,4-bis(5-methyl-1H-indol-3-yl)pyrrole-2,5-dione
PubChem CID22410468
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name3,4-bis(5-methyl-1H-indol-3-yl)pyrrole-2,5-dione
SMILESCc1ccc2[nH]cc(C3=C(c4c[nH]c5ccc(C)cc45)C(=O)NC3=O)c2c1
InChIInChI=1S/C22H17N3O2/c1-11-3-5-17-13(7-11)15(9-23-17)19-20(22(27)25-21(19)26)16-10-24-18-6-4-12(2)8-14(16)18/h3-10,23-24H,1-2H3,(H,25,26,27)
InChIKeyJDSGCOSJCMIJIG-UHFFFAOYSA-N
XLogP3.83
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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(5-methyl-1H-indol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3,4-bis(5-methyl-1H-indol-3-yl)pyrrole-2,5-dione (CID 22410468) is 3,4-bis(5-methyl-1H-indol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3,4-bis(5-methyl-1H-indol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3,4-bis(5-methyl-1H-indol-3-yl)pyrrole-2,5-dione is Cc1ccc2[nH]cc(C3=C(c4c[nH]c5ccc(C)cc45)C(=O)NC3=O)c2c1.
What is the InChIKey of 3,4-bis(5-methyl-1H-indol-3-yl)pyrrole-2,5-dione?
The InChIKey is JDSGCOSJCMIJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c1-11-3-5-17-13(7-11)15(9-23-17)19-20(22(27)25-21(19)26)16-10-24-18-6-4-12(2)8-14(16)18/h3-10,23-24H,1-2H3,(H,25,26,27).
What are the key properties of 3,4-bis(5-methyl-1H-indol-3-yl)pyrrole-2,5-dione?
3,4-bis(5-methyl-1H-indol-3-yl)pyrrole-2,5-dione has a molecular weight of 355.40 g/mol, XLogP of 3.83, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(5-methyl-1H-indol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 22410468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).