4-(2,5-dioxopyrrolidin-1-yl)benzaldehyde

C11H9NO3 — CID 106913640

IUPAC4-(2,5-dioxopyrrolidin-1-yl)benzaldehyde
SMILESO=Cc1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C11H9NO3/c13-7-8-1-3-9(4-2-8)12-10(14)5-6-11(12)15/h1-4,7H,5-6H2
InChIKeyYMWUCDPBVOWTOX-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.15
Rot. Bonds2

About 4-(2,5-dioxopyrrolidin-1-yl)benzaldehyde

4-(2,5-dioxopyrrolidin-1-yl)benzaldehyde (PubChem CID 106913640) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)benzaldehyde.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)benzaldehyde
PubChem CID106913640
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)benzaldehyde
SMILESO=Cc1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C11H9NO3/c13-7-8-1-3-9(4-2-8)12-10(14)5-6-11(12)15/h1-4,7H,5-6H2
InChIKeyYMWUCDPBVOWTOX-UHFFFAOYSA-N
XLogP1.15
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.15
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 4-(2,5-dioxopyrrolidin-1-yl)benzaldehyde?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)benzaldehyde (CID 106913640) is 4-(2,5-dioxopyrrolidin-1-yl)benzaldehyde.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)benzaldehyde?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)benzaldehyde is O=Cc1ccc(N2C(=O)CCC2=O)cc1.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)benzaldehyde?
The InChIKey is YMWUCDPBVOWTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c13-7-8-1-3-9(4-2-8)12-10(14)5-6-11(12)15/h1-4,7H,5-6H2.
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)benzaldehyde?
4-(2,5-dioxopyrrolidin-1-yl)benzaldehyde has a molecular weight of 203.20 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)benzaldehyde is sourced from PubChem (CID 106913640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).