N-[3-(2,5-dioxopyrrol-1-yl)-1H-indol-5-yl]acetamide

C14H11N3O3 — CID 70365692

IUPACN-[3-(2,5-dioxopyrrol-1-yl)-1H-indol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2[nH]cc(N3C(=O)C=CC3=O)c2c1
InChIInChI=1S/C14H11N3O3/c1-8(18)16-9-2-3-11-10(6-9)12(7-15-11)17-13(19)4-5-14(17)20/h2-7,15H,1H3,(H,16,18)
InChIKeyWEFXLOZNDOWAAJ-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.56
Rot. Bonds2

About N-[3-(2,5-dioxopyrrol-1-yl)-1H-indol-5-yl]acetamide

N-[3-(2,5-dioxopyrrol-1-yl)-1H-indol-5-yl]acetamide (PubChem CID 70365692) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is N-[3-(2,5-dioxopyrrol-1-yl)-1H-indol-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-(2,5-dioxopyrrol-1-yl)-1H-indol-5-yl]acetamide
PubChem CID70365692
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC NameN-[3-(2,5-dioxopyrrol-1-yl)-1H-indol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2[nH]cc(N3C(=O)C=CC3=O)c2c1
InChIInChI=1S/C14H11N3O3/c1-8(18)16-9-2-3-11-10(6-9)12(7-15-11)17-13(19)4-5-14(17)20/h2-7,15H,1H3,(H,16,18)
InChIKeyWEFXLOZNDOWAAJ-UHFFFAOYSA-N
XLogP1.56
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.56
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 N-[3-(2,5-dioxopyrrol-1-yl)-1H-indol-5-yl]acetamide?
The IUPAC name of N-[3-(2,5-dioxopyrrol-1-yl)-1H-indol-5-yl]acetamide (CID 70365692) is N-[3-(2,5-dioxopyrrol-1-yl)-1H-indol-5-yl]acetamide.
What is the SMILES notation for N-[3-(2,5-dioxopyrrol-1-yl)-1H-indol-5-yl]acetamide?
The canonical SMILES for N-[3-(2,5-dioxopyrrol-1-yl)-1H-indol-5-yl]acetamide is CC(=O)Nc1ccc2[nH]cc(N3C(=O)C=CC3=O)c2c1.
What is the InChIKey of N-[3-(2,5-dioxopyrrol-1-yl)-1H-indol-5-yl]acetamide?
The InChIKey is WEFXLOZNDOWAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-8(18)16-9-2-3-11-10(6-9)12(7-15-11)17-13(19)4-5-14(17)20/h2-7,15H,1H3,(H,16,18).
What are the key properties of N-[3-(2,5-dioxopyrrol-1-yl)-1H-indol-5-yl]acetamide?
N-[3-(2,5-dioxopyrrol-1-yl)-1H-indol-5-yl]acetamide has a molecular weight of 269.26 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,5-dioxopyrrol-1-yl)-1H-indol-5-yl]acetamide is sourced from PubChem (CID 70365692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).