3-(1-ethylindol-3-yl)-1-(4-hydroxyphenyl)pyrrolidine-2,5-dione

C20H18N2O3 — CID 2988657

IUPAC3-(1-ethylindol-3-yl)-1-(4-hydroxyphenyl)pyrrolidine-2,5-dione
SMILESCCn1cc(C2CC(=O)N(c3ccc(O)cc3)C2=O)c2ccccc21
InChIInChI=1S/C20H18N2O3/c1-2-21-12-17(15-5-3-4-6-18(15)21)16-11-19(24)22(20(16)25)13-7-9-14(23)10-8-13/h3-10,12,16,23H,2,11H2,1H3
InChIKeyOQWHHVYAVSWKJY-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.41
Rot. Bonds3

About 3-(1-ethylindol-3-yl)-1-(4-hydroxyphenyl)pyrrolidine-2,5-dione

3-(1-ethylindol-3-yl)-1-(4-hydroxyphenyl)pyrrolidine-2,5-dione (PubChem CID 2988657) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 3-(1-ethylindol-3-yl)-1-(4-hydroxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(1-ethylindol-3-yl)-1-(4-hydroxyphenyl)pyrrolidine-2,5-dione
PubChem CID2988657
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name3-(1-ethylindol-3-yl)-1-(4-hydroxyphenyl)pyrrolidine-2,5-dione
SMILESCCn1cc(C2CC(=O)N(c3ccc(O)cc3)C2=O)c2ccccc21
InChIInChI=1S/C20H18N2O3/c1-2-21-12-17(15-5-3-4-6-18(15)21)16-11-19(24)22(20(16)25)13-7-9-14(23)10-8-13/h3-10,12,16,23H,2,11H2,1H3
InChIKeyOQWHHVYAVSWKJY-UHFFFAOYSA-N
XLogP3.41
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.41
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-(1-ethylindol-3-yl)-1-(4-hydroxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(1-ethylindol-3-yl)-1-(4-hydroxyphenyl)pyrrolidine-2,5-dione (CID 2988657) is 3-(1-ethylindol-3-yl)-1-(4-hydroxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(1-ethylindol-3-yl)-1-(4-hydroxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(1-ethylindol-3-yl)-1-(4-hydroxyphenyl)pyrrolidine-2,5-dione is CCn1cc(C2CC(=O)N(c3ccc(O)cc3)C2=O)c2ccccc21.
What is the InChIKey of 3-(1-ethylindol-3-yl)-1-(4-hydroxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is OQWHHVYAVSWKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-2-21-12-17(15-5-3-4-6-18(15)21)16-11-19(24)22(20(16)25)13-7-9-14(23)10-8-13/h3-10,12,16,23H,2,11H2,1H3.
What are the key properties of 3-(1-ethylindol-3-yl)-1-(4-hydroxyphenyl)pyrrolidine-2,5-dione?
3-(1-ethylindol-3-yl)-1-(4-hydroxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 334.38 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylindol-3-yl)-1-(4-hydroxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2988657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).