(3R)-3-(1H-indol-3-yl)-1-phenylpyrrolidine-2,5-dione

C18H14N2O2 — CID 919331

IUPAC(3R)-3-(1H-indol-3-yl)-1-phenylpyrrolidine-2,5-dione
SMILESO=C1C[C@H](c2c[nH]c3ccccc23)C(=O)N1c1ccccc1
InChIInChI=1S/C18H14N2O2/c21-17-10-14(15-11-19-16-9-5-4-8-13(15)16)18(22)20(17)12-6-2-1-3-7-12/h1-9,11,14,19H,10H2/t14-/m1/s1
InChIKeyYSZCDIFFVAZIBE-CQSZACIVSA-N
MW290.32 g/mol
LogP3.21
Rot. Bonds2

About (3R)-3-(1H-indol-3-yl)-1-phenylpyrrolidine-2,5-dione

(3R)-3-(1H-indol-3-yl)-1-phenylpyrrolidine-2,5-dione (PubChem CID 919331) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is (3R)-3-(1H-indol-3-yl)-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(1H-indol-3-yl)-1-phenylpyrrolidine-2,5-dione
PubChem CID919331
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name(3R)-3-(1H-indol-3-yl)-1-phenylpyrrolidine-2,5-dione
SMILESO=C1C[C@H](c2c[nH]c3ccccc23)C(=O)N1c1ccccc1
InChIInChI=1S/C18H14N2O2/c21-17-10-14(15-11-19-16-9-5-4-8-13(15)16)18(22)20(17)12-6-2-1-3-7-12/h1-9,11,14,19H,10H2/t14-/m1/s1
InChIKeyYSZCDIFFVAZIBE-CQSZACIVSA-N
XLogP3.21
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-[3-(1H-indol-3-yl)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 43826810
(3R)-3-(1H-indol-3-yl)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 885166
1-(3-hydroxyphenyl)-3-(1H-indol-3-yl)pyrrolidine-2,5-dione
CID 4836109
(3R)-3-(1H-indol-3-yl)-1-naphthalen-2-ylpyrrolidine-2,5-dione
CID 899164
(3S)-3-(1H-indol-3-yl)-1-naphthalen-2-ylpyrrolidine-2,5-dione
CID 899163
1-phenyl-3-(1-propylindol-3-yl)pyrrolidine-2,5-dione
CID 23605678
4-(1H-indol-3-yl)azetidin-2-one
CID 55255346
1-(4-fluorophenyl)-3-(2-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione
CID 18833654
3-(2-hydroxynaphthalen-1-yl)-1-phenylpyrrolidine-2,5-dione
CID 162403351
(5R)-5-(1H-indol-3-yl)-3-phenyl-4,5-dihydro-1H-pyridazin-6-one
CID 745484
1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)-5-sulfanylidenepyrrolidin-2-one
CID 151508266
(3S)-3-(1-methylindol-3-yl)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 946422

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1H-indol-3-yl)-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-(1H-indol-3-yl)-1-phenylpyrrolidine-2,5-dione (CID 919331) is (3R)-3-(1H-indol-3-yl)-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-(1H-indol-3-yl)-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-(1H-indol-3-yl)-1-phenylpyrrolidine-2,5-dione is O=C1C[C@H](c2c[nH]c3ccccc23)C(=O)N1c1ccccc1.
What is the InChIKey of (3R)-3-(1H-indol-3-yl)-1-phenylpyrrolidine-2,5-dione?
The InChIKey is YSZCDIFFVAZIBE-CQSZACIVSA-N. The full InChI is InChI=1S/C18H14N2O2/c21-17-10-14(15-11-19-16-9-5-4-8-13(15)16)18(22)20(17)12-6-2-1-3-7-12/h1-9,11,14,19H,10H2/t14-/m1/s1.
What are the key properties of (3R)-3-(1H-indol-3-yl)-1-phenylpyrrolidine-2,5-dione?
(3R)-3-(1H-indol-3-yl)-1-phenylpyrrolidine-2,5-dione has a molecular weight of 290.32 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1H-indol-3-yl)-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 919331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).