1-(3-hydroxyphenyl)-3-(1H-indol-3-yl)pyrrolidine-2,5-dione

C18H14N2O3 — CID 4836109

IUPAC1-(3-hydroxyphenyl)-3-(1H-indol-3-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(c2c[nH]c3ccccc23)C(=O)N1c1cccc(O)c1
InChIInChI=1S/C18H14N2O3/c21-12-5-3-4-11(8-12)20-17(22)9-14(18(20)23)15-10-19-16-7-2-1-6-13(15)16/h1-8,10,14,19,21H,9H2
InChIKeyUNHOQZGSHWXILJ-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.92
Rot. Bonds2

About 1-(3-hydroxyphenyl)-3-(1H-indol-3-yl)pyrrolidine-2,5-dione

1-(3-hydroxyphenyl)-3-(1H-indol-3-yl)pyrrolidine-2,5-dione (PubChem CID 4836109) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-3-(1H-indol-3-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-3-(1H-indol-3-yl)pyrrolidine-2,5-dione
PubChem CID4836109
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name1-(3-hydroxyphenyl)-3-(1H-indol-3-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(c2c[nH]c3ccccc23)C(=O)N1c1cccc(O)c1
InChIInChI=1S/C18H14N2O3/c21-12-5-3-4-11(8-12)20-17(22)9-14(18(20)23)15-10-19-16-7-2-1-6-13(15)16/h1-8,10,14,19,21H,9H2
InChIKeyUNHOQZGSHWXILJ-UHFFFAOYSA-N
XLogP2.92
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3-hydroxyphenyl)-3-(1H-indol-3-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(3-hydroxyphenyl)-3-(1H-indol-3-yl)pyrrolidine-2,5-dione (CID 4836109) is 1-(3-hydroxyphenyl)-3-(1H-indol-3-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-hydroxyphenyl)-3-(1H-indol-3-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-hydroxyphenyl)-3-(1H-indol-3-yl)pyrrolidine-2,5-dione is O=C1CC(c2c[nH]c3ccccc23)C(=O)N1c1cccc(O)c1.
What is the InChIKey of 1-(3-hydroxyphenyl)-3-(1H-indol-3-yl)pyrrolidine-2,5-dione?
The InChIKey is UNHOQZGSHWXILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c21-12-5-3-4-11(8-12)20-17(22)9-14(18(20)23)15-10-19-16-7-2-1-6-13(15)16/h1-8,10,14,19,21H,9H2.
What are the key properties of 1-(3-hydroxyphenyl)-3-(1H-indol-3-yl)pyrrolidine-2,5-dione?
1-(3-hydroxyphenyl)-3-(1H-indol-3-yl)pyrrolidine-2,5-dione has a molecular weight of 306.32 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-3-(1H-indol-3-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 4836109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).