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

C13H10N2O2 — CID 23063805

IUPAC3-(4-methyl-1H-indol-3-yl)pyrrole-2,5-dione
SMILESCc1cccc2[nH]cc(C3=CC(=O)NC3=O)c12
InChIInChI=1S/C13H10N2O2/c1-7-3-2-4-10-12(7)9(6-14-10)8-5-11(16)15-13(8)17/h2-6,14H,1H3,(H,15,16,17)
InChIKeyNUXJRPZHAXEUEA-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.52
Rot. Bonds1

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

3-(4-methyl-1H-indol-3-yl)pyrrole-2,5-dione (PubChem CID 23063805) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-(4-methyl-1H-indol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-methyl-1H-indol-3-yl)pyrrole-2,5-dione
PubChem CID23063805
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name3-(4-methyl-1H-indol-3-yl)pyrrole-2,5-dione
SMILESCc1cccc2[nH]cc(C3=CC(=O)NC3=O)c12
InChIInChI=1S/C13H10N2O2/c1-7-3-2-4-10-12(7)9(6-14-10)8-5-11(16)15-13(8)17/h2-6,14H,1H3,(H,15,16,17)
InChIKeyNUXJRPZHAXEUEA-UHFFFAOYSA-N
XLogP1.52
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.52
H-Bond Donors ≤ 52
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-methyl-1H-indol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(4-methyl-1H-indol-3-yl)pyrrole-2,5-dione (CID 23063805) is 3-(4-methyl-1H-indol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-methyl-1H-indol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(4-methyl-1H-indol-3-yl)pyrrole-2,5-dione is Cc1cccc2[nH]cc(C3=CC(=O)NC3=O)c12.
What is the InChIKey of 3-(4-methyl-1H-indol-3-yl)pyrrole-2,5-dione?
The InChIKey is NUXJRPZHAXEUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c1-7-3-2-4-10-12(7)9(6-14-10)8-5-11(16)15-13(8)17/h2-6,14H,1H3,(H,15,16,17).
What are the key properties of 3-(4-methyl-1H-indol-3-yl)pyrrole-2,5-dione?
3-(4-methyl-1H-indol-3-yl)pyrrole-2,5-dione has a molecular weight of 226.24 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1H-indol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 23063805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).