1-(1H-indol-2-yl)pyrrolidine-2,5-dione

C12H10N2O2 — CID 163731271

IUPAC1-(1H-indol-2-yl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1cc2ccccc2[nH]1
InChIInChI=1S/C12H10N2O2/c15-11-5-6-12(16)14(11)10-7-8-3-1-2-4-9(8)13-10/h1-4,7,13H,5-6H2
InChIKeyKZTFCDBIDIQVSI-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.82
Rot. Bonds1

About 1-(1H-indol-2-yl)pyrrolidine-2,5-dione

1-(1H-indol-2-yl)pyrrolidine-2,5-dione (PubChem CID 163731271) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 1-(1H-indol-2-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(1H-indol-2-yl)pyrrolidine-2,5-dione
PubChem CID163731271
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name1-(1H-indol-2-yl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1cc2ccccc2[nH]1
InChIInChI=1S/C12H10N2O2/c15-11-5-6-12(16)14(11)10-7-8-3-1-2-4-9(8)13-10/h1-4,7,13H,5-6H2
InChIKeyKZTFCDBIDIQVSI-UHFFFAOYSA-N
XLogP1.82
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.82
H-Bond Donors ≤ 51
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 1-(1H-indol-2-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(1H-indol-2-yl)pyrrolidine-2,5-dione (CID 163731271) is 1-(1H-indol-2-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(1H-indol-2-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(1H-indol-2-yl)pyrrolidine-2,5-dione is O=C1CCC(=O)N1c1cc2ccccc2[nH]1.
What is the InChIKey of 1-(1H-indol-2-yl)pyrrolidine-2,5-dione?
The InChIKey is KZTFCDBIDIQVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c15-11-5-6-12(16)14(11)10-7-8-3-1-2-4-9(8)13-10/h1-4,7,13H,5-6H2.
What are the key properties of 1-(1H-indol-2-yl)pyrrolidine-2,5-dione?
1-(1H-indol-2-yl)pyrrolidine-2,5-dione has a molecular weight of 214.22 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-2-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 163731271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).