3-(6-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione

C13H12N2O3 — CID 86240712

IUPAC3-(6-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione
SMILESCOc1ccc2c(C3CC(=O)NC3=O)c[nH]c2c1
InChIInChI=1S/C13H12N2O3/c1-18-7-2-3-8-10(6-14-11(8)4-7)9-5-12(16)15-13(9)17/h2-4,6,9,14H,5H2,1H3,(H,15,16,17)
InChIKeyNXKCBNXCDAFMKQ-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.31
Rot. Bonds2

About 3-(6-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione

3-(6-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione (PubChem CID 86240712) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 3-(6-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(6-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione
PubChem CID86240712
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name3-(6-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione
SMILESCOc1ccc2c(C3CC(=O)NC3=O)c[nH]c2c1
InChIInChI=1S/C13H12N2O3/c1-18-7-2-3-8-10(6-14-11(8)4-7)9-5-12(16)15-13(9)17/h2-4,6,9,14H,5H2,1H3,(H,15,16,17)
InChIKeyNXKCBNXCDAFMKQ-UHFFFAOYSA-N
XLogP1.31
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.31
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 3-(6-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(6-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione (CID 86240712) is 3-(6-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(6-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(6-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione is COc1ccc2c(C3CC(=O)NC3=O)c[nH]c2c1.
What is the InChIKey of 3-(6-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione?
The InChIKey is NXKCBNXCDAFMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-18-7-2-3-8-10(6-14-11(8)4-7)9-5-12(16)15-13(9)17/h2-4,6,9,14H,5H2,1H3,(H,15,16,17).
What are the key properties of 3-(6-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione?
3-(6-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione has a molecular weight of 244.25 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 86240712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).