(3S)-3-(1H-indol-3-yl)-1-naphthalen-2-ylpyrrolidine-2,5-dione

C22H16N2O2 — CID 899163

IUPAC(3S)-3-(1H-indol-3-yl)-1-naphthalen-2-ylpyrrolidine-2,5-dione
SMILESO=C1C[C@@H](c2c[nH]c3ccccc23)C(=O)N1c1ccc2ccccc2c1
InChIInChI=1S/C22H16N2O2/c25-21-12-18(19-13-23-20-8-4-3-7-17(19)20)22(26)24(21)16-10-9-14-5-1-2-6-15(14)11-16/h1-11,13,18,23H,12H2/t18-/m0/s1
InChIKeyZRXQJXPBDMICKB-SFHVURJKSA-N
MW340.38 g/mol
LogP4.37
Rot. Bonds2

About (3S)-3-(1H-indol-3-yl)-1-naphthalen-2-ylpyrrolidine-2,5-dione

(3S)-3-(1H-indol-3-yl)-1-naphthalen-2-ylpyrrolidine-2,5-dione (PubChem CID 899163) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is (3S)-3-(1H-indol-3-yl)-1-naphthalen-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-(1H-indol-3-yl)-1-naphthalen-2-ylpyrrolidine-2,5-dione
PubChem CID899163
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC Name(3S)-3-(1H-indol-3-yl)-1-naphthalen-2-ylpyrrolidine-2,5-dione
SMILESO=C1C[C@@H](c2c[nH]c3ccccc23)C(=O)N1c1ccc2ccccc2c1
InChIInChI=1S/C22H16N2O2/c25-21-12-18(19-13-23-20-8-4-3-7-17(19)20)22(26)24(21)16-10-9-14-5-1-2-6-15(14)11-16/h1-11,13,18,23H,12H2/t18-/m0/s1
InChIKeyZRXQJXPBDMICKB-SFHVURJKSA-N
XLogP4.37
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.37
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 (3S)-3-(1H-indol-3-yl)-1-naphthalen-2-ylpyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-(1H-indol-3-yl)-1-naphthalen-2-ylpyrrolidine-2,5-dione (CID 899163) is (3S)-3-(1H-indol-3-yl)-1-naphthalen-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-(1H-indol-3-yl)-1-naphthalen-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-(1H-indol-3-yl)-1-naphthalen-2-ylpyrrolidine-2,5-dione is O=C1C[C@@H](c2c[nH]c3ccccc23)C(=O)N1c1ccc2ccccc2c1.
What is the InChIKey of (3S)-3-(1H-indol-3-yl)-1-naphthalen-2-ylpyrrolidine-2,5-dione?
The InChIKey is ZRXQJXPBDMICKB-SFHVURJKSA-N. The full InChI is InChI=1S/C22H16N2O2/c25-21-12-18(19-13-23-20-8-4-3-7-17(19)20)22(26)24(21)16-10-9-14-5-1-2-6-15(14)11-16/h1-11,13,18,23H,12H2/t18-/m0/s1.
What are the key properties of (3S)-3-(1H-indol-3-yl)-1-naphthalen-2-ylpyrrolidine-2,5-dione?
(3S)-3-(1H-indol-3-yl)-1-naphthalen-2-ylpyrrolidine-2,5-dione has a molecular weight of 340.38 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(1H-indol-3-yl)-1-naphthalen-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 899163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).