5-[3-(2,5-dioxopyrrolidin-1-yl)phenyl]furan-2-carbaldehyde

C15H11NO4 — CID 169333937

IUPAC5-[3-(2,5-dioxopyrrolidin-1-yl)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cccc(N3C(=O)CCC3=O)c2)o1
InChIInChI=1S/C15H11NO4/c17-9-12-4-5-13(20-12)10-2-1-3-11(8-10)16-14(18)6-7-15(16)19/h1-5,8-9H,6-7H2
InChIKeyUZWCMVZKHUMOJT-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.41
Rot. Bonds3

About 5-[3-(2,5-dioxopyrrolidin-1-yl)phenyl]furan-2-carbaldehyde

5-[3-(2,5-dioxopyrrolidin-1-yl)phenyl]furan-2-carbaldehyde (PubChem CID 169333937) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 5-[3-(2,5-dioxopyrrolidin-1-yl)phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[3-(2,5-dioxopyrrolidin-1-yl)phenyl]furan-2-carbaldehyde
PubChem CID169333937
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name5-[3-(2,5-dioxopyrrolidin-1-yl)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cccc(N3C(=O)CCC3=O)c2)o1
InChIInChI=1S/C15H11NO4/c17-9-12-4-5-13(20-12)10-2-1-3-11(8-10)16-14(18)6-7-15(16)19/h1-5,8-9H,6-7H2
InChIKeyUZWCMVZKHUMOJT-UHFFFAOYSA-N
XLogP2.41
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[3-(2,5-dioxopyrrolidin-1-yl)phenyl]furan-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[3-(2-oxopyrrolidin-1-yl)phenyl]furan-2-carbaldehyde
CID 169332676
1-[3-(furan-2-yl)phenyl]pyrrolidine-2,5-dione
CID 168526590
5-(3-cyclopropyloxyphenyl)furan-2-carbaldehyde
CID 106886623
furan;5-phenylfuran-2-carbaldehyde
CID 175007564
5-[3-(2,3,4,5,6-pentafluorophenoxy)phenyl]furan-2-carbaldehyde
CID 169333082
5-[3-(3,3-difluorocyclobutyl)phenyl]furan-2-carbaldehyde
CID 169334742
5-[3-(4-methylsulfanylphenyl)phenyl]furan-2-carbaldehyde
CID 169332998
5-(4-formylphenyl)furan-2-carbaldehyde
CID 7183276
5-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)furan-2-carbaldehyde
CID 169335246
5-[3-(3-fluoro-4-methylphenyl)phenyl]furan-2-carbaldehyde
CID 169332976
5-(6,7,8,9-tetrahydrodibenzofuran-2-yl)furan-2-carbaldehyde
CID 169332932
5-[3-(4-fluorophenoxy)phenyl]furan-2-carbaldehyde
CID 169334086

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,5-dioxopyrrolidin-1-yl)phenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[3-(2,5-dioxopyrrolidin-1-yl)phenyl]furan-2-carbaldehyde (CID 169333937) is 5-[3-(2,5-dioxopyrrolidin-1-yl)phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[3-(2,5-dioxopyrrolidin-1-yl)phenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[3-(2,5-dioxopyrrolidin-1-yl)phenyl]furan-2-carbaldehyde is O=Cc1ccc(-c2cccc(N3C(=O)CCC3=O)c2)o1.
What is the InChIKey of 5-[3-(2,5-dioxopyrrolidin-1-yl)phenyl]furan-2-carbaldehyde?
The InChIKey is UZWCMVZKHUMOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c17-9-12-4-5-13(20-12)10-2-1-3-11(8-10)16-14(18)6-7-15(16)19/h1-5,8-9H,6-7H2.
What are the key properties of 5-[3-(2,5-dioxopyrrolidin-1-yl)phenyl]furan-2-carbaldehyde?
5-[3-(2,5-dioxopyrrolidin-1-yl)phenyl]furan-2-carbaldehyde has a molecular weight of 269.26 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,5-dioxopyrrolidin-1-yl)phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169333937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).