5-(2,5-dioxopyrrol-1-yl)pentanoic acid

C9H11NO4 — CID 23273872

IUPAC5-(2,5-dioxopyrrol-1-yl)pentanoic acid
SMILESO=C(O)CCCCN1C(=O)C=CC1=O
InChIInChI=1S/C9H11NO4/c11-7-4-5-8(12)10(7)6-2-1-3-9(13)14/h4-5H,1-3,6H2,(H,13,14)
InChIKeyACVAAFHNDGTZLL-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.17
Rot. Bonds5

About 5-(2,5-dioxopyrrol-1-yl)pentanoic acid

5-(2,5-dioxopyrrol-1-yl)pentanoic acid (PubChem CID 23273872) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is 5-(2,5-dioxopyrrol-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-(2,5-dioxopyrrol-1-yl)pentanoic acid
PubChem CID23273872
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name5-(2,5-dioxopyrrol-1-yl)pentanoic acid
SMILESO=C(O)CCCCN1C(=O)C=CC1=O
InChIInChI=1S/C9H11NO4/c11-7-4-5-8(12)10(7)6-2-1-3-9(13)14/h4-5H,1-3,6H2,(H,13,14)
InChIKeyACVAAFHNDGTZLL-UHFFFAOYSA-N
XLogP0.17
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(2,5-dioxopyrrol-1-yl)pentanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dioxopyrrol-1-yl)pentanoic acid?
The IUPAC name of 5-(2,5-dioxopyrrol-1-yl)pentanoic acid (CID 23273872) is 5-(2,5-dioxopyrrol-1-yl)pentanoic acid.
What is the SMILES notation for 5-(2,5-dioxopyrrol-1-yl)pentanoic acid?
The canonical SMILES for 5-(2,5-dioxopyrrol-1-yl)pentanoic acid is O=C(O)CCCCN1C(=O)C=CC1=O.
What is the InChIKey of 5-(2,5-dioxopyrrol-1-yl)pentanoic acid?
The InChIKey is ACVAAFHNDGTZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c11-7-4-5-8(12)10(7)6-2-1-3-9(13)14/h4-5H,1-3,6H2,(H,13,14).
What are the key properties of 5-(2,5-dioxopyrrol-1-yl)pentanoic acid?
5-(2,5-dioxopyrrol-1-yl)pentanoic acid has a molecular weight of 197.19 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dioxopyrrol-1-yl)pentanoic acid is sourced from PubChem (CID 23273872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).