3-(2,5-dioxopyrrol-1-yl)benzaldehyde

C11H7NO3 — CID 5324243

IUPAC3-(2,5-dioxopyrrol-1-yl)benzaldehyde
SMILESO=Cc1cccc(N2C(=O)C=CC2=O)c1
InChIInChI=1S/C11H7NO3/c13-7-8-2-1-3-9(6-8)12-10(14)4-5-11(12)15/h1-7H
InChIKeyHEWIMBSYHHCGKZ-UHFFFAOYSA-N
MW201.18 g/mol
LogP0.93
Rot. Bonds2

About 3-(2,5-dioxopyrrol-1-yl)benzaldehyde

3-(2,5-dioxopyrrol-1-yl)benzaldehyde (PubChem CID 5324243) has the molecular formula C11H7NO3 and a molecular weight of 201.18 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)benzaldehyde.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)benzaldehyde
PubChem CID5324243
Molecular FormulaC11H7NO3
Molecular Weight201.18 g/mol
Exact Mass201.04
IUPAC Name3-(2,5-dioxopyrrol-1-yl)benzaldehyde
SMILESO=Cc1cccc(N2C(=O)C=CC2=O)c1
InChIInChI=1S/C11H7NO3/c13-7-8-2-1-3-9(6-8)12-10(14)4-5-11(12)15/h1-7H
InChIKeyHEWIMBSYHHCGKZ-UHFFFAOYSA-N
XLogP0.93
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)benzaldehyde?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)benzaldehyde (CID 5324243) is 3-(2,5-dioxopyrrol-1-yl)benzaldehyde.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)benzaldehyde?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)benzaldehyde is O=Cc1cccc(N2C(=O)C=CC2=O)c1.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)benzaldehyde?
The InChIKey is HEWIMBSYHHCGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO3/c13-7-8-2-1-3-9(6-8)12-10(14)4-5-11(12)15/h1-7H.
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)benzaldehyde?
3-(2,5-dioxopyrrol-1-yl)benzaldehyde has a molecular weight of 201.18 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)benzaldehyde is sourced from PubChem (CID 5324243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).