(3R)-3-hydroxy-4-[2-(3-methoxyphenyl)-3-oxo-1H-indol-2-yl]-1-methylpyrrolidine-2,5-dione

C20H18N2O5 — CID 175172136

IUPAC(3R)-3-hydroxy-4-[2-(3-methoxyphenyl)-3-oxo-1H-indol-2-yl]-1-methylpyrrolidine-2,5-dione
SMILESCOc1cccc(C2(C3C(=O)N(C)C(=O)[C@@H]3O)Nc3ccccc3C2=O)c1
InChIInChI=1S/C20H18N2O5/c1-22-18(25)15(16(23)19(22)26)20(11-6-5-7-12(10-11)27-2)17(24)13-8-3-4-9-14(13)21-20/h3-10,15-16,21,23H,1-2H3/t15?,16-,20?/m1/s1
InChIKeyHNXNFWQSICJTPG-LFDOHDQPSA-N
MW366.37 g/mol
LogP1.17
Rot. Bonds3

About (3R)-3-hydroxy-4-[2-(3-methoxyphenyl)-3-oxo-1H-indol-2-yl]-1-methylpyrrolidine-2,5-dione

(3R)-3-hydroxy-4-[2-(3-methoxyphenyl)-3-oxo-1H-indol-2-yl]-1-methylpyrrolidine-2,5-dione (PubChem CID 175172136) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is (3R)-3-hydroxy-4-[2-(3-methoxyphenyl)-3-oxo-1H-indol-2-yl]-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-hydroxy-4-[2-(3-methoxyphenyl)-3-oxo-1H-indol-2-yl]-1-methylpyrrolidine-2,5-dione
PubChem CID175172136
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name(3R)-3-hydroxy-4-[2-(3-methoxyphenyl)-3-oxo-1H-indol-2-yl]-1-methylpyrrolidine-2,5-dione
SMILESCOc1cccc(C2(C3C(=O)N(C)C(=O)[C@@H]3O)Nc3ccccc3C2=O)c1
InChIInChI=1S/C20H18N2O5/c1-22-18(25)15(16(23)19(22)26)20(11-6-5-7-12(10-11)27-2)17(24)13-8-3-4-9-14(13)21-20/h3-10,15-16,21,23H,1-2H3/t15?,16-,20?/m1/s1
InChIKeyHNXNFWQSICJTPG-LFDOHDQPSA-N
XLogP1.17
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-4-[2-(3-methoxyphenyl)-3-oxo-1H-indol-2-yl]-1-methylpyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-hydroxy-4-[2-(3-methoxyphenyl)-3-oxo-1H-indol-2-yl]-1-methylpyrrolidine-2,5-dione (CID 175172136) is (3R)-3-hydroxy-4-[2-(3-methoxyphenyl)-3-oxo-1H-indol-2-yl]-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-hydroxy-4-[2-(3-methoxyphenyl)-3-oxo-1H-indol-2-yl]-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-hydroxy-4-[2-(3-methoxyphenyl)-3-oxo-1H-indol-2-yl]-1-methylpyrrolidine-2,5-dione is COc1cccc(C2(C3C(=O)N(C)C(=O)[C@@H]3O)Nc3ccccc3C2=O)c1.
What is the InChIKey of (3R)-3-hydroxy-4-[2-(3-methoxyphenyl)-3-oxo-1H-indol-2-yl]-1-methylpyrrolidine-2,5-dione?
The InChIKey is HNXNFWQSICJTPG-LFDOHDQPSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-22-18(25)15(16(23)19(22)26)20(11-6-5-7-12(10-11)27-2)17(24)13-8-3-4-9-14(13)21-20/h3-10,15-16,21,23H,1-2H3/t15?,16-,20?/m1/s1.
What are the key properties of (3R)-3-hydroxy-4-[2-(3-methoxyphenyl)-3-oxo-1H-indol-2-yl]-1-methylpyrrolidine-2,5-dione?
(3R)-3-hydroxy-4-[2-(3-methoxyphenyl)-3-oxo-1H-indol-2-yl]-1-methylpyrrolidine-2,5-dione has a molecular weight of 366.37 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-4-[2-(3-methoxyphenyl)-3-oxo-1H-indol-2-yl]-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 175172136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).