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

C10H13NO4 — CID 23174647

IUPAC5-(2,5-dioxopyrrol-1-yl)hexanoic acid
SMILESCC(CCCC(=O)O)N1C(=O)C=CC1=O
InChIInChI=1S/C10H13NO4/c1-7(3-2-4-10(14)15)11-8(12)5-6-9(11)13/h5-7H,2-4H2,1H3,(H,14,15)
InChIKeyFFVUKQJPXSISLC-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.55
Rot. Bonds5

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

5-(2,5-dioxopyrrol-1-yl)hexanoic acid (PubChem CID 23174647) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 5-(2,5-dioxopyrrol-1-yl)hexanoic acid.

Molecular Properties

Compound Name5-(2,5-dioxopyrrol-1-yl)hexanoic acid
PubChem CID23174647
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name5-(2,5-dioxopyrrol-1-yl)hexanoic acid
SMILESCC(CCCC(=O)O)N1C(=O)C=CC1=O
InChIInChI=1S/C10H13NO4/c1-7(3-2-4-10(14)15)11-8(12)5-6-9(11)13/h5-7H,2-4H2,1H3,(H,14,15)
InChIKeyFFVUKQJPXSISLC-UHFFFAOYSA-N
XLogP0.55
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(1,3-dioxoisoindol-2-yl)hexanoic acid
CID 15847422
5-(2,7-dioxoazepan-1-yl)hexanoic acid
CID 82846685
1-heptan-2-ylpyrrole-2,5-dione
CID 22388775
(2S)-2-(2,5-dioxopyrrol-1-yl)pentanedioic acid
CID 82679809
10-(2,5-dioxopyrrol-1-yl)dodecanoic acid
CID 151278217
1-(5-hydroxyhexan-2-yl)pyrrole-2,5-dione
CID 67068197
5-(2,5-dioxo-3-phenylpyrrolidin-1-yl)hexanoic acid
CID 82846688
1-(4-methoxybutan-2-yl)pyrrole-2,5-dione
CID 64606099
5-(2-oxopiperidin-1-yl)hexanoic acid
CID 82847597
13-(2,5-dioxopyrrol-1-yl)tridecanoic acid
CID 71336496
2-(2,5-dioxopyrrol-1-yl)octanoic acid
CID 21116846
2-(2,5-dioxopyrrol-1-yl)undecanoic acid
CID 18477222

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dioxopyrrol-1-yl)hexanoic acid?
The IUPAC name of 5-(2,5-dioxopyrrol-1-yl)hexanoic acid (CID 23174647) is 5-(2,5-dioxopyrrol-1-yl)hexanoic acid.
What is the SMILES notation for 5-(2,5-dioxopyrrol-1-yl)hexanoic acid?
The canonical SMILES for 5-(2,5-dioxopyrrol-1-yl)hexanoic acid is CC(CCCC(=O)O)N1C(=O)C=CC1=O.
What is the InChIKey of 5-(2,5-dioxopyrrol-1-yl)hexanoic acid?
The InChIKey is FFVUKQJPXSISLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-7(3-2-4-10(14)15)11-8(12)5-6-9(11)13/h5-7H,2-4H2,1H3,(H,14,15).
What are the key properties of 5-(2,5-dioxopyrrol-1-yl)hexanoic acid?
5-(2,5-dioxopyrrol-1-yl)hexanoic acid has a molecular weight of 211.22 g/mol, XLogP of 0.55, 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)hexanoic acid is sourced from PubChem (CID 23174647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).